NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10158 | 1pb5 | 5817 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLU 1 HT1 GLU 1 37.974 -9.998 9.398 2 2H GLU 1 HT2 GLU 1 39.504 -9.317 9.021 3 3H GLU 1 HT3 GLU 1 38.883 -10.612 8.080 4 HA GLU 1 HA GLU 1 37.273 -9.319 7.121 5 1HB GLU 1 HB2 GLU 1 36.707 -7.092 7.928 6 2HB GLU 1 HB1 GLU 1 36.564 -8.259 9.234 7 1HG GLU 1 HG2 GLU 1 39.072 -7.478 9.663 8 2HG GLU 1 HG1 GLU 1 38.461 -6.020 8.883 9 H GLU 2 HN GLU 2 39.930 -9.854 6.496 10 HA GLU 2 HA GLU 2 41.405 -7.502 5.883 11 1HB GLU 2 HB2 GLU 2 41.602 -10.388 5.106 12 2HB GLU 2 HB1 GLU 2 42.570 -9.193 4.252 13 1HG GLU 2 HG2 GLU 2 44.084 -9.477 5.846 14 2HG GLU 2 HG1 GLU 2 42.996 -8.572 6.898 15 H ALA 3 HN ALA 3 39.954 -6.128 4.797 16 HA ALA 3 HA ALA 3 39.684 -6.740 1.958 17 1HB ALA 3 HB1 ALA 3 37.512 -7.257 2.381 18 2HB ALA 3 HB2 ALA 3 37.343 -5.506 2.262 19 3HB ALA 3 HB3 ALA 3 37.453 -6.276 3.845 20 H CYS 4 HN CYS 4 41.194 -4.905 3.883 21 HA CYS 4 HA CYS 4 42.080 -2.811 3.793 22 1HB CYS 4 HB2 CYS 4 42.269 -3.533 1.400 23 2HB CYS 4 HB1 CYS 4 40.767 -2.688 1.081 24 H GLU 5 HN GLU 5 41.517 -0.685 4.321 25 HA GLU 5 HA GLU 5 38.639 -0.107 4.307 26 1HB GLU 5 HB2 GLU 5 38.943 1.091 6.432 27 2HB GLU 5 HB1 GLU 5 39.376 -0.607 6.574 28 1HG GLU 5 HG2 GLU 5 41.784 0.244 6.092 29 2HG GLU 5 HG1 GLU 5 41.132 1.802 6.597 30 H LEU 6 HN LEU 6 41.065 0.656 2.582 31 HA LEU 6 HA LEU 6 40.385 3.504 2.465 32 1HB LEU 6 HB2 LEU 6 43.089 2.270 2.689 33 2HB LEU 6 HB1 LEU 6 42.895 3.728 1.734 34 HG LEU 6 HG LEU 6 41.642 4.484 4.009 35 1HD1 LEU 6 HD11 LEU 6 43.948 2.819 4.980 36 2HD1 LEU 6 HD12 LEU 6 42.278 2.254 5.014 37 3HD1 LEU 6 HD13 LEU 6 42.744 3.684 5.935 38 1HD2 LEU 6 HD21 LEU 6 43.163 6.026 3.417 39 2HD2 LEU 6 HD22 LEU 6 44.322 4.818 2.862 40 3HD2 LEU 6 HD23 LEU 6 44.200 5.200 4.580 41 HA PRO 7 HA PRO 7 39.678 1.938 -1.699 42 1HB PRO 7 HB2 PRO 7 38.458 4.597 -2.020 43 2HB PRO 7 HB1 PRO 7 37.734 3.003 -2.246 44 1HG PRO 7 HG2 PRO 7 37.078 4.591 -0.171 45 2HG PRO 7 HG1 PRO 7 37.113 2.823 -0.035 46 1HD PRO 7 HD2 PRO 7 39.123 4.836 0.896 47 2HD PRO 7 HD1 PRO 7 38.572 3.342 1.688 48 H GLU 8 HN GLU 8 41.384 4.552 -0.356 49 HA GLU 8 HA GLU 8 42.263 5.782 -2.786 50 1HB GLU 8 HB2 GLU 8 43.949 6.883 -1.315 51 2HB GLU 8 HB1 GLU 8 42.290 7.087 -0.774 52 1HG GLU 8 HG2 GLU 8 42.567 5.543 0.984 53 2HG GLU 8 HG1 GLU 8 44.094 4.956 0.325 54 H CYS 9 HN CYS 9 43.585 3.298 -0.626 55 HA CYS 9 HA CYS 9 46.140 3.076 -1.600 56 1HB CYS 9 HB2 CYS 9 44.372 0.734 -0.875 57 2HB CYS 9 HB1 CYS 9 46.134 0.809 -0.804 58 H GLN 10 HN GLN 10 43.175 2.206 -3.182 59 HA GLN 10 HA GLN 10 44.107 0.366 -5.060 60 1HB GLN 10 HB2 GLN 10 41.697 1.458 -4.532 61 2HB GLN 10 HB1 GLN 10 42.110 2.346 -5.992 62 1HG GLN 10 HG2 GLN 10 42.621 0.032 -6.994 63 2HG GLN 10 HG1 GLN 10 41.696 -0.593 -5.629 64 1HE2 GLN 10 HE21 GLN 10 41.527 1.692 -8.318 65 2HE2 GLN 10 HE22 GLN 10 39.829 1.525 -8.587 66 H GLU 11 HN GLU 11 44.404 3.846 -4.915 67 HA GLU 11 HA GLU 11 45.888 3.791 -7.466 68 1HB GLU 11 HB2 GLU 11 44.341 6.067 -6.211 69 2HB GLU 11 HB1 GLU 11 45.339 6.215 -7.651 70 1HG GLU 11 HG2 GLU 11 43.706 4.136 -8.314 71 2HG GLU 11 HG1 GLU 11 42.643 5.141 -7.329 72 H ASP 12 HN ASP 12 45.806 4.765 -4.141 73 HA ASP 12 HA ASP 12 48.151 6.335 -4.139 74 1HB ASP 12 HB2 ASP 12 46.087 5.425 -2.322 75 2HB ASP 12 HB1 ASP 12 47.652 5.427 -1.576 76 H ALA 13 HN ALA 13 47.550 2.943 -4.090 77 HA ALA 13 HA ALA 13 50.089 2.301 -2.831 78 1HB ALA 13 HB1 ALA 13 49.432 -0.013 -3.073 79 2HB ALA 13 HB2 ALA 13 48.072 0.449 -4.096 80 3HB ALA 13 HB3 ALA 13 48.094 0.915 -2.395 81 H GLY 14 HN GLY 14 51.934 1.841 -3.873 82 1HA GLY 14 HA2 GLY 14 53.360 1.250 -5.603 83 2HA GLY 14 HA1 GLY 14 51.954 0.885 -6.591 84 H ASN 15 HN ASN 15 52.752 3.957 -5.018 85 HA ASN 15 HA ASN 15 52.916 5.210 -7.654 86 1HB ASN 15 HB2 ASN 15 52.153 7.257 -6.459 87 2HB ASN 15 HB1 ASN 15 50.963 5.960 -6.446 88 1HD2 ASN 15 HD21 ASN 15 50.115 7.278 -4.669 89 2HD2 ASN 15 HD22 ASN 15 50.731 6.985 -3.075 90 H LYS 16 HN LYS 16 54.911 3.979 -5.657 91 HA LYS 16 HA LYS 16 57.052 4.282 -5.090 92 1HB LYS 16 HB2 LYS 16 57.182 6.909 -6.488 93 2HB LYS 16 HB1 LYS 16 58.380 5.615 -6.420 94 1HG LYS 16 HG2 LYS 16 55.872 5.738 -8.069 95 2HG LYS 16 HG1 LYS 16 57.540 5.652 -8.613 96 1HD LYS 16 HD2 LYS 16 57.447 3.403 -7.168 97 2HD LYS 16 HD1 LYS 16 55.751 3.513 -7.646 98 1HE LYS 16 HE2 LYS 16 56.208 3.172 -9.850 99 2HE LYS 16 HE1 LYS 16 57.788 3.948 -9.755 100 1HZ LYS 16 HZ1 LYS 16 58.553 1.953 -8.504 101 2HZ LYS 16 HZ2 LYS 16 58.130 1.642 -10.112 102 3HZ LYS 16 HZ3 LYS 16 57.075 1.211 -8.863 103 H VAL 17 HN VAL 17 54.688 5.876 -3.803 104 HA VAL 17 HA VAL 17 56.251 7.851 -2.318 105 HB VAL 17 HB VAL 17 53.309 7.402 -1.914 106 1HG1 VAL 17 HG11 VAL 17 54.492 10.098 -1.964 107 2HG1 VAL 17 HG12 VAL 17 55.067 9.045 -0.672 108 3HG1 VAL 17 HG13 VAL 17 53.344 9.382 -0.833 109 1HG2 VAL 17 HG21 VAL 17 52.704 8.719 -3.736 110 2HG2 VAL 17 HG22 VAL 17 53.962 7.679 -4.399 111 3HG2 VAL 17 HG23 VAL 17 54.339 9.342 -3.954 112 H CYS 18 HN CYS 18 54.124 7.382 -0.103 113 HA CYS 18 HA CYS 18 54.801 4.863 1.037 114 1HB CYS 18 HB2 CYS 18 56.863 6.092 1.518 115 2HB CYS 18 HB1 CYS 18 55.918 7.387 2.244 116 H SER 19 HN SER 19 52.862 4.352 1.690 117 HA SER 19 HA SER 19 51.405 6.184 3.470 118 1HB SER 19 HB2 SER 19 50.415 4.756 1.035 119 2HB SER 19 HB1 SER 19 49.326 4.885 2.416 120 HG SER 19 HG SER 19 49.793 7.194 2.344 121 H LEU 20 HN LEU 20 51.593 5.337 5.346 122 HA LEU 20 HA LEU 20 52.047 2.620 5.942 123 1HB LEU 20 HB2 LEU 20 51.074 4.942 7.585 124 2HB LEU 20 HB1 LEU 20 51.539 3.391 8.276 125 HG LEU 20 HG LEU 20 53.442 4.905 6.552 126 1HD1 LEU 20 HD11 LEU 20 53.457 5.320 9.507 127 2HD1 LEU 20 HD12 LEU 20 52.405 6.308 8.494 128 3HD1 LEU 20 HD13 LEU 20 54.148 6.318 8.227 129 1HD2 LEU 20 HD21 LEU 20 54.465 2.940 7.014 130 2HD2 LEU 20 HD22 LEU 20 53.537 2.678 8.490 131 3HD2 LEU 20 HD23 LEU 20 54.909 3.787 8.496 132 H GLN 21 HN GLN 21 49.208 4.640 5.861 133 HA GLN 21 HA GLN 21 47.418 2.753 7.000 134 1HB GLN 21 HB2 GLN 21 45.823 4.355 5.394 135 2HB GLN 21 HB1 GLN 21 46.187 4.613 7.089 136 1HG GLN 21 HG2 GLN 21 46.528 6.643 5.854 137 2HG GLN 21 HG1 GLN 21 48.074 6.047 6.453 138 1HE2 GLN 21 HE21 GLN 21 46.133 5.143 3.627 139 2HE2 GLN 21 HE22 GLN 21 47.369 5.482 2.456 140 H CYS 22 HN CYS 22 49.052 2.631 4.105 141 HA CYS 22 HA CYS 22 46.956 0.948 2.906 142 1HB CYS 22 HB2 CYS 22 48.988 2.773 1.634 143 2HB CYS 22 HB1 CYS 22 48.235 1.465 0.727 144 H ASN 23 HN ASN 23 50.130 1.170 4.153 145 HA ASN 23 HA ASN 23 51.301 -1.000 2.789 146 1HB ASN 23 HB2 ASN 23 52.274 1.084 4.024 147 2HB ASN 23 HB1 ASN 23 52.151 0.048 5.441 148 1HD2 ASN 23 HD21 ASN 23 54.450 0.961 4.835 149 2HD2 ASN 23 HD22 ASN 23 55.485 -0.261 4.173 150 H ASN 24 HN ASN 24 48.987 -2.081 3.552 151 HA ASN 24 HA ASN 24 49.736 -3.712 5.866 152 1HB ASN 24 HB2 ASN 24 47.042 -4.085 5.721 153 2HB ASN 24 HB1 ASN 24 47.864 -3.048 6.858 154 1HD2 ASN 24 HD21 ASN 24 48.449 -0.830 5.628 155 2HD2 ASN 24 HD22 ASN 24 47.060 -0.079 4.908 156 H HIS 25 HN HIS 25 48.296 -5.691 5.934 157 HA HIS 25 HA HIS 25 49.044 -7.259 3.647 158 1HB HIS 25 HB2 HIS 25 49.388 -8.044 5.917 159 2HB HIS 25 HB1 HIS 25 47.662 -7.913 6.248 160 HD1 HIS 25 HD1 HIS 25 47.858 -10.529 6.845 161 HD2 HIS 25 HD2 HIS 25 48.432 -9.502 2.868 162 HE1 HIS 25 HE1 HIS 25 47.622 -12.679 5.560 163 HE2 HIS 25 HE2 HIS 25 47.879 -12.018 3.141 164 H ALA 26 HN ALA 26 46.181 -5.868 5.041 165 HA ALA 26 HA ALA 26 44.415 -7.391 3.317 166 1HB ALA 26 HB1 ALA 26 42.807 -5.617 4.590 167 2HB ALA 26 HB2 ALA 26 44.133 -5.788 5.741 168 3HB ALA 26 HB3 ALA 26 43.244 -7.212 5.203 169 H CYS 27 HN CYS 27 46.128 -4.419 3.075 170 HA CYS 27 HA CYS 27 44.088 -3.394 1.216 171 1HB CYS 27 HB2 CYS 27 46.199 -2.095 2.860 172 2HB CYS 27 HB1 CYS 27 45.799 -1.358 1.312 173 H GLY 28 HN GLY 28 47.335 -4.599 1.464 174 1HA GLY 28 HA2 GLY 28 47.993 -5.677 -0.732 175 2HA GLY 28 HA1 GLY 28 47.682 -4.094 -1.432 176 H TRP 29 HN TRP 29 48.925 -3.632 1.619 177 HA TRP 29 HA TRP 29 50.890 -3.068 2.452 178 1HB TRP 29 HB2 TRP 29 51.905 -4.811 0.201 179 2HB TRP 29 HB1 TRP 29 52.965 -4.070 1.394 180 HD1 TRP 29 HD1 TRP 29 51.388 -7.249 0.841 181 HE1 TRP 29 HE1 TRP 29 51.087 -8.491 3.083 182 HE3 TRP 29 HE3 TRP 29 52.051 -3.405 4.036 183 HZ2 TRP 29 HZ2 TRP 29 51.141 -7.922 5.763 184 HZ3 TRP 29 HZ3 TRP 29 51.860 -3.774 6.423 185 HH2 TRP 29 HH2 TRP 29 51.425 -6.034 7.303 186 H ASP 30 HN ASP 30 49.543 -1.313 0.790 187 HA ASP 30 HA ASP 30 49.743 0.561 -0.488 188 1HB ASP 30 HB2 ASP 30 50.814 1.223 1.626 189 2HB ASP 30 HB1 ASP 30 52.363 0.681 1.017 190 H GLY 31 HN GLY 31 50.750 -1.917 -1.698 191 1HA GLY 31 HA2 GLY 31 51.720 -2.547 -3.672 192 2HA GLY 31 HA1 GLY 31 51.801 -0.841 -4.072 193 H GLY 32 HN GLY 32 53.458 -1.329 -1.198 194 1HA GLY 32 HA2 GLY 32 55.702 -1.852 -0.744 195 2HA GLY 32 HA1 GLY 32 55.963 -2.117 -2.466 196 H ASP 33 HN ASP 33 54.359 0.666 -1.158 197 HA ASP 33 HA ASP 33 56.298 2.419 -2.404 198 1HB ASP 33 HB2 ASP 33 53.576 2.716 -1.215 199 2HB ASP 33 HB1 ASP 33 54.581 4.139 -1.422 200 H CYS 34 HN CYS 34 54.908 1.885 0.820 201 HA CYS 34 HA CYS 34 56.705 3.755 2.055 202 1HB CYS 34 HB2 CYS 34 54.515 1.990 2.931 203 2HB CYS 34 HB1 CYS 34 55.810 2.153 4.106 204 H SER 35 HN SER 35 56.244 0.242 2.408 205 HA SER 35 HA SER 35 58.921 -0.481 2.013 206 1HB SER 35 HB2 SER 35 59.530 0.629 4.028 207 2HB SER 35 HB1 SER 35 58.134 -0.017 4.891 208 HG SER 35 HG SER 35 60.425 -1.422 3.992 Start of MODEL 2 1 1H GLU 1 1H GLU 1 37.940 -10.282 7.457 2 2H GLU 1 2H GLU 1 37.116 -9.127 6.491 3 3H GLU 1 3H GLU 1 36.404 -9.696 7.945 4 HA GLU 1 HA GLU 1 37.200 -7.645 8.491 5 1HB GLU 1 1HB GLU 1 38.042 -9.840 9.758 6 2HB GLU 1 2HB GLU 1 39.610 -9.225 9.254 7 1HG GLU 1 1HG GLU 1 39.243 -8.388 11.417 8 2HG GLU 1 2HG GLU 1 38.964 -7.037 10.320 9 H GLU 2 H GLU 2 39.983 -9.405 7.107 10 HA GLU 2 HA GLU 2 41.364 -6.965 6.495 11 1HB GLU 2 1HB GLU 2 42.971 -8.523 5.325 12 2HB GLU 2 2HB GLU 2 42.725 -8.836 7.038 13 1HG GLU 2 1HG GLU 2 40.918 -10.317 5.280 14 2HG GLU 2 2HG GLU 2 42.624 -10.704 5.065 15 H ALA 3 H ALA 3 39.929 -5.846 5.129 16 HA ALA 3 HA ALA 3 40.027 -6.756 2.356 17 1HB ALA 3 1HB ALA 3 37.758 -7.204 3.656 18 2HB ALA 3 2HB ALA 3 37.783 -6.709 1.964 19 3HB ALA 3 3HB ALA 3 37.478 -5.516 3.227 20 H CYS 4 H CYS 4 41.164 -4.599 4.220 21 HA CYS 4 HA CYS 4 41.878 -2.452 4.001 22 1HB CYS 4 1HB CYS 4 42.419 -3.408 1.739 23 2HB CYS 4 2HB CYS 4 40.925 -2.704 1.153 24 H GLU 5 H GLU 5 41.051 -0.462 4.449 25 HA GLU 5 HA GLU 5 38.222 -0.012 3.799 26 1HB GLU 5 1HB GLU 5 37.966 1.172 5.907 27 2HB GLU 5 2HB GLU 5 38.551 -0.460 6.202 28 1HG GLU 5 1HG GLU 5 40.722 0.297 6.701 29 2HG GLU 5 2HG GLU 5 40.395 1.901 6.047 30 H LEU 6 H LEU 6 40.933 0.810 2.607 31 HA LEU 6 HA LEU 6 40.367 3.700 2.518 32 1HB LEU 6 1HB LEU 6 42.937 2.186 2.592 33 2HB LEU 6 2HB LEU 6 42.873 3.726 1.753 34 HG LEU 6 HG LEU 6 41.854 4.602 3.994 35 1HD1 LEU 6 1HD1 LEU 6 43.547 2.515 5.250 36 2HD1 LEU 6 2HD1 LEU 6 41.909 2.073 4.771 37 3HD1 LEU 6 3HD1 LEU 6 42.169 3.401 5.900 38 1HD2 LEU 6 1HD2 LEU 6 43.867 5.539 3.347 39 2HD2 LEU 6 2HD2 LEU 6 44.714 3.991 3.368 40 3HD2 LEU 6 3HD2 LEU 6 44.281 4.782 4.885 41 HA PRO 7 HA PRO 7 39.467 2.517 -1.727 42 1HB PRO 7 1HB PRO 7 38.567 5.305 -1.908 43 2HB PRO 7 2HB PRO 7 37.648 3.819 -2.159 44 1HG PRO 7 1HG PRO 7 37.256 5.414 -0.017 45 2HG PRO 7 2HG PRO 7 37.051 3.655 0.055 46 1HD PRO 7 1HD PRO 7 39.339 5.337 1.002 47 2HD PRO 7 2HD PRO 7 38.600 3.906 1.758 48 H GLU 8 H GLU 8 41.532 4.790 -0.289 49 HA GLU 8 HA GLU 8 42.509 5.977 -2.733 50 1HB GLU 8 1HB GLU 8 44.235 6.980 -1.251 51 2HB GLU 8 2HB GLU 8 42.587 7.306 -0.730 52 1HG GLU 8 1HG GLU 8 42.743 5.696 1.019 53 2HG GLU 8 2HG GLU 8 44.293 5.112 0.416 54 H CYS 9 H CYS 9 43.599 3.455 -0.485 55 HA CYS 9 HA CYS 9 46.139 3.038 -1.515 56 1HB CYS 9 1HB CYS 9 44.290 0.894 -0.459 57 2HB CYS 9 2HB CYS 9 46.053 0.865 -0.485 58 H GLN 10 H GLN 10 43.079 2.306 -2.923 59 HA GLN 10 HA GLN 10 43.816 0.192 -4.620 60 1HB GLN 10 1HB GLN 10 41.498 1.568 -4.107 61 2HB GLN 10 2HB GLN 10 41.877 2.093 -5.742 62 1HG GLN 10 1HG GLN 10 42.266 -0.590 -5.932 63 2HG GLN 10 2HG GLN 10 40.953 -0.502 -4.758 64 1HE2 GLN 10 1HE2 GLN 10 41.852 1.225 -7.731 65 2HE2 GLN 10 2HE2 GLN 10 40.302 1.088 -8.481 66 H GLU 11 H GLU 11 44.313 3.642 -4.817 67 HA GLU 11 HA GLU 11 45.615 3.274 -7.440 68 1HB GLU 11 1HB GLU 11 45.230 5.716 -7.779 69 2HB GLU 11 2HB GLU 11 43.747 4.776 -7.674 70 1HG GLU 11 1HG GLU 11 44.794 5.999 -5.184 71 2HG GLU 11 2HG GLU 11 44.063 7.060 -6.388 72 H ASP 12 H ASP 12 45.824 4.545 -4.217 73 HA ASP 12 HA ASP 12 48.265 5.926 -4.488 74 1HB ASP 12 1HB ASP 12 46.325 5.238 -2.428 75 2HB ASP 12 2HB ASP 12 47.957 5.264 -1.839 76 H ALA 13 H ALA 13 47.484 2.598 -4.224 77 HA ALA 13 HA ALA 13 49.970 1.806 -2.990 78 1HB ALA 13 1HB ALA 13 47.866 0.138 -4.365 79 2HB ALA 13 2HB ALA 13 47.945 0.485 -2.639 80 3HB ALA 13 3HB ALA 13 49.209 -0.479 -3.403 81 H GLY 14 H GLY 14 51.821 1.208 -3.985 82 1HA GLY 14 1HA GLY 14 53.307 0.715 -5.682 83 2HA GLY 14 2HA GLY 14 51.929 0.305 -6.689 84 H ASN 15 H ASN 15 52.769 3.408 -5.164 85 HA ASN 15 HA ASN 15 52.848 4.611 -7.830 86 1HB ASN 15 1HB ASN 15 52.161 6.703 -6.629 87 2HB ASN 15 2HB ASN 15 50.952 5.425 -6.613 88 1HD2 ASN 15 1HD2 ASN 15 50.289 6.985 -4.837 89 2HD2 ASN 15 2HD2 ASN 15 50.843 6.585 -3.247 90 H LYS 16 H LYS 16 54.910 3.450 -5.798 91 HA LYS 16 HA LYS 16 57.077 3.786 -5.324 92 1HB LYS 16 1HB LYS 16 57.154 6.308 -6.911 93 2HB LYS 16 2HB LYS 16 58.362 5.030 -6.782 94 1HG LYS 16 1HG LYS 16 55.819 5.034 -8.378 95 2HG LYS 16 2HG LYS 16 57.475 4.889 -8.949 96 1HD LYS 16 1HD LYS 16 57.343 2.763 -7.287 97 2HD LYS 16 2HD LYS 16 55.670 2.848 -7.846 98 1HE LYS 16 1HE LYS 16 57.053 3.185 -10.173 99 2HE LYS 16 2HE LYS 16 58.111 2.088 -9.286 100 1HZ LYS 16 1HZ LYS 16 56.573 0.431 -9.315 101 2HZ LYS 16 2HZ LYS 16 56.147 1.201 -10.759 102 3HZ LYS 16 3HZ LYS 16 55.248 1.482 -9.354 103 H VAL 17 H VAL 17 54.756 5.492 -4.077 104 HA VAL 17 HA VAL 17 56.389 7.552 -2.789 105 HB VAL 17 HB VAL 17 53.477 7.184 -2.183 106 1HG1 VAL 17 1HG1 VAL 17 53.582 9.302 -1.395 107 2HG1 VAL 17 2HG1 VAL 17 54.692 9.832 -2.659 108 3HG1 VAL 17 3HG1 VAL 17 55.303 8.938 -1.268 109 1HG2 VAL 17 1HG2 VAL 17 52.732 8.282 -4.103 110 2HG2 VAL 17 2HG2 VAL 17 53.918 7.137 -4.726 111 3HG2 VAL 17 3HG2 VAL 17 54.350 8.834 -4.532 112 H CYS 18 H CYS 18 54.378 7.297 -0.443 113 HA CYS 18 HA CYS 18 55.006 4.806 0.782 114 1HB CYS 18 1HB CYS 18 57.149 5.975 1.073 115 2HB CYS 18 2HB CYS 18 56.304 7.307 1.852 116 H SER 19 H SER 19 53.034 4.446 1.472 117 HA SER 19 HA SER 19 51.799 6.388 3.305 118 1HB SER 19 1HB SER 19 50.641 5.078 0.901 119 2HB SER 19 2HB SER 19 49.612 5.123 2.332 120 HG SER 19 HG SER 19 50.629 7.236 0.797 121 H LEU 20 H LEU 20 51.997 5.546 5.199 122 HA LEU 20 HA LEU 20 52.320 2.810 5.792 123 1HB LEU 20 1HB LEU 20 51.533 5.172 7.482 124 2HB LEU 20 2HB LEU 20 51.950 3.596 8.142 125 HG LEU 20 HG LEU 20 53.858 5.041 6.358 126 1HD1 LEU 20 1HD1 LEU 20 53.737 5.435 9.341 127 2HD1 LEU 20 2HD1 LEU 20 53.104 6.594 8.172 128 3HD1 LEU 20 3HD1 LEU 20 54.825 6.214 8.192 129 1HD2 LEU 20 1HD2 LEU 20 55.391 3.551 7.095 130 2HD2 LEU 20 2HD2 LEU 20 53.955 2.577 7.414 131 3HD2 LEU 20 3HD2 LEU 20 54.711 3.490 8.721 132 H GLN 21 H GLN 21 49.577 4.960 5.748 133 HA GLN 21 HA GLN 21 47.736 3.214 7.011 134 1HB GLN 21 1HB GLN 21 46.220 4.825 5.287 135 2HB GLN 21 2HB GLN 21 46.514 5.076 6.997 136 1HG GLN 21 1HG GLN 21 47.011 7.092 5.838 137 2HG GLN 21 2HG GLN 21 48.526 6.398 6.406 138 1HE2 GLN 21 1HE2 GLN 21 46.510 5.683 3.577 139 2HE2 GLN 21 2HE2 GLN 21 47.752 5.977 2.404 140 H CYS 22 H CYS 22 49.264 2.919 4.050 141 HA CYS 22 HA CYS 22 47.080 1.239 3.012 142 1HB CYS 22 1HB CYS 22 49.142 2.913 1.588 143 2HB CYS 22 2HB CYS 22 48.302 1.600 0.773 144 H ASN 23 H ASN 23 50.300 1.415 4.133 145 HA ASN 23 HA ASN 23 51.341 -0.872 2.853 146 1HB ASN 23 1HB ASN 23 52.447 1.237 3.924 147 2HB ASN 23 2HB ASN 23 52.353 0.286 5.401 148 1HD2 ASN 23 1HD2 ASN 23 54.673 1.043 4.657 149 2HD2 ASN 23 2HD2 ASN 23 55.610 -0.251 3.993 150 H ASN 24 H ASN 24 49.038 -1.842 3.758 151 HA ASN 24 HA ASN 24 49.806 -3.340 6.158 152 1HB ASN 24 1HB ASN 24 47.114 -3.709 6.061 153 2HB ASN 24 2HB ASN 24 47.939 -2.577 7.101 154 1HD2 ASN 24 1HD2 ASN 24 48.502 -0.460 5.731 155 2HD2 ASN 24 2HD2 ASN 24 47.121 0.223 4.936 156 H HIS 25 H HIS 25 48.299 -5.315 6.331 157 HA HIS 25 HA HIS 25 49.052 -7.001 4.120 158 1HB HIS 25 1HB HIS 25 49.428 -7.723 6.395 159 2HB HIS 25 2HB HIS 25 47.720 -7.521 6.777 160 HD1 HIS 25 HD1 HIS 25 47.776 -10.100 7.472 161 HD2 HIS 25 HD2 HIS 25 48.407 -9.293 3.451 162 HE1 HIS 25 HE1 HIS 25 47.451 -12.298 6.291 163 HE2 HIS 25 HE2 HIS 25 47.936 -11.806 3.867 164 H ALA 26 H ALA 26 46.203 -5.513 5.439 165 HA ALA 26 HA ALA 26 44.415 -7.145 3.846 166 1HB ALA 26 1HB ALA 26 43.561 -6.732 5.966 167 2HB ALA 26 2HB ALA 26 42.670 -5.624 4.919 168 3HB ALA 26 3HB ALA 26 43.998 -5.024 5.914 169 H CYS 27 H CYS 27 46.104 -4.156 3.430 170 HA CYS 27 HA CYS 27 44.103 -3.294 1.458 171 1HB CYS 27 1HB CYS 27 46.239 -1.874 2.977 172 2HB CYS 27 2HB CYS 27 45.787 -1.254 1.392 173 H GLY 28 H GLY 28 47.330 -4.514 1.809 174 1HA GLY 28 1HA GLY 28 47.996 -5.766 -0.277 175 2HA GLY 28 2HA GLY 28 47.683 -4.255 -1.117 176 H TRP 29 H TRP 29 48.949 -3.537 1.886 177 HA TRP 29 HA TRP 29 50.934 -2.913 2.651 178 1HB TRP 29 1HB TRP 29 51.936 -4.788 0.498 179 2HB TRP 29 2HB TRP 29 52.996 -3.979 1.646 180 HD1 TRP 29 HD1 TRP 29 51.393 -7.188 1.264 181 HE1 TRP 29 HE1 TRP 29 51.102 -8.323 3.563 182 HE3 TRP 29 HE3 TRP 29 52.150 -3.202 4.271 183 HZ2 TRP 29 HZ2 TRP 29 51.194 -7.628 6.232 184 HZ3 TRP 29 HZ3 TRP 29 51.988 -3.465 6.680 185 HH2 TRP 29 HH2 TRP 29 51.533 -5.669 7.671 186 H ASP 30 H ASP 30 49.556 -1.253 0.979 187 HA ASP 30 HA ASP 30 49.690 0.545 -0.405 188 1HB ASP 30 1HB ASP 30 50.930 1.301 1.585 189 2HB ASP 30 2HB ASP 30 52.419 0.710 0.884 190 H GLY 31 H GLY 31 50.599 -2.026 -1.532 191 1HA GLY 31 1HA GLY 31 51.387 -2.754 -3.554 192 2HA GLY 31 2HA GLY 31 51.517 -1.069 -4.025 193 H GLY 32 H GLY 32 53.332 -1.319 -1.284 194 1HA GLY 32 1HA GLY 32 55.567 -2.015 -0.919 195 2HA GLY 32 2HA GLY 32 55.723 -2.326 -2.646 196 H ASP 33 H ASP 33 54.305 0.569 -1.339 197 HA ASP 33 HA ASP 33 56.269 2.181 -2.716 198 1HB ASP 33 1HB ASP 33 53.829 2.984 -1.129 199 2HB ASP 33 2HB ASP 33 54.777 4.025 -2.176 200 H CYS 34 H CYS 34 55.028 1.761 0.582 201 HA CYS 34 HA CYS 34 56.972 3.583 1.677 202 1HB CYS 34 1HB CYS 34 54.745 1.949 2.714 203 2HB CYS 34 2HB CYS 34 56.102 2.101 3.819 204 H SER 35 H SER 35 56.360 0.107 2.180 205 HA SER 35 HA SER 35 57.741 -1.653 2.602 206 1HB SER 35 1HB SER 35 58.752 -1.177 0.461 207 2HB SER 35 2HB SER 35 59.724 0.119 1.158 208 HG SER 35 HG SER 35 60.649 -2.141 0.828 Start of MODEL 3 1 1H GLU 1 1H GLU 1 37.857 -10.139 9.554 2 2H GLU 1 2H GLU 1 39.472 -9.797 9.080 3 3H GLU 1 3H GLU 1 38.339 -10.368 7.925 4 HA GLU 1 HA GLU 1 37.169 -8.418 7.905 5 1HB GLU 1 1HB GLU 1 37.645 -8.379 10.567 6 2HB GLU 1 2HB GLU 1 38.743 -7.109 10.046 7 1HG GLU 1 1HG GLU 1 36.863 -5.890 10.450 8 2HG GLU 1 2HG GLU 1 36.638 -6.256 8.741 9 H GLU 2 H GLU 2 39.641 -9.416 6.751 10 HA GLU 2 HA GLU 2 41.232 -6.978 6.417 11 1HB GLU 2 1HB GLU 2 41.732 -9.878 5.792 12 2HB GLU 2 2HB GLU 2 42.725 -8.611 5.084 13 1HG GLU 2 1HG GLU 2 43.940 -9.224 6.940 14 2HG GLU 2 2HG GLU 2 43.044 -7.820 7.519 15 H ALA 3 H ALA 3 39.822 -5.801 5.095 16 HA ALA 3 HA ALA 3 39.813 -6.677 2.310 17 1HB ALA 3 1HB ALA 3 37.578 -7.119 3.614 18 2HB ALA 3 2HB ALA 3 37.551 -6.482 1.969 19 3HB ALA 3 3HB ALA 3 37.331 -5.395 3.340 20 H CYS 4 H CYS 4 41.081 -4.587 4.159 21 HA CYS 4 HA CYS 4 41.865 -2.463 3.933 22 1HB CYS 4 1HB CYS 4 42.249 -3.390 1.625 23 2HB CYS 4 2HB CYS 4 40.751 -2.623 1.137 24 H GLU 5 H GLU 5 41.143 -0.409 4.376 25 HA GLU 5 HA GLU 5 38.277 0.083 3.975 26 1HB GLU 5 1HB GLU 5 38.310 1.390 6.074 27 2HB GLU 5 2HB GLU 5 38.700 -0.305 6.329 28 1HG GLU 5 1HG GLU 5 41.045 1.356 5.859 29 2HG GLU 5 2HG GLU 5 40.118 1.833 7.281 30 H LEU 6 H LEU 6 40.919 0.858 2.564 31 HA LEU 6 HA LEU 6 40.259 3.718 2.359 32 1HB LEU 6 1HB LEU 6 42.930 2.379 2.541 33 2HB LEU 6 2HB LEU 6 42.759 3.922 1.724 34 HG LEU 6 HG LEU 6 41.590 3.800 4.430 35 1HD1 LEU 6 1HD1 LEU 6 43.407 2.670 5.209 36 2HD1 LEU 6 2HD1 LEU 6 44.054 4.310 5.234 37 3HD1 LEU 6 3HD1 LEU 6 44.454 3.225 3.903 38 1HD2 LEU 6 1HD2 LEU 6 43.564 5.802 3.429 39 2HD2 LEU 6 2HD2 LEU 6 42.185 6.023 4.506 40 3HD2 LEU 6 3HD2 LEU 6 41.926 5.791 2.777 41 HA PRO 7 HA PRO 7 39.609 2.237 -1.841 42 1HB PRO 7 1HB PRO 7 38.550 4.950 -2.218 43 2HB PRO 7 2HB PRO 7 37.735 3.398 -2.420 44 1HG PRO 7 1HG PRO 7 37.155 5.081 -0.390 45 2HG PRO 7 2HG PRO 7 37.053 3.318 -0.226 46 1HD PRO 7 1HD PRO 7 39.192 5.190 0.714 47 2HD PRO 7 2HD PRO 7 38.511 3.757 1.520 48 H GLU 8 H GLU 8 41.446 4.732 -0.457 49 HA GLU 8 HA GLU 8 42.445 5.905 -2.876 50 1HB GLU 8 1HB GLU 8 44.168 6.901 -1.341 51 2HB GLU 8 2HB GLU 8 42.500 7.254 -0.914 52 1HG GLU 8 1HG GLU 8 42.536 5.713 0.881 53 2HG GLU 8 2HG GLU 8 44.071 5.030 0.349 54 H CYS 9 H CYS 9 43.588 3.392 -0.646 55 HA CYS 9 HA CYS 9 46.153 3.051 -1.610 56 1HB CYS 9 1HB CYS 9 44.325 0.809 -0.738 57 2HB CYS 9 2HB CYS 9 46.087 0.838 -0.682 58 H GLN 10 H GLN 10 43.158 2.274 -3.150 59 HA GLN 10 HA GLN 10 43.992 0.270 -4.914 60 1HB GLN 10 1HB GLN 10 41.624 1.170 -4.483 61 2HB GLN 10 2HB GLN 10 42.019 2.421 -5.655 62 1HG GLN 10 1HG GLN 10 42.735 0.030 -6.888 63 2HG GLN 10 2HG GLN 10 41.206 -0.309 -6.078 64 1HE2 GLN 10 1HE2 GLN 10 39.607 -0.136 -7.466 65 2HE2 GLN 10 2HE2 GLN 10 39.418 1.100 -8.658 66 H GLU 11 H GLU 11 44.443 3.737 -4.967 67 HA GLU 11 HA GLU 11 45.915 3.472 -7.511 68 1HB GLU 11 1HB GLU 11 44.033 5.512 -6.521 69 2HB GLU 11 2HB GLU 11 45.495 6.160 -7.251 70 1HG GLU 11 1HG GLU 11 43.999 4.036 -8.696 71 2HG GLU 11 2HG GLU 11 43.352 5.676 -8.680 72 H ASP 12 H ASP 12 45.895 4.639 -4.244 73 HA ASP 12 HA ASP 12 48.324 6.073 -4.325 74 1HB ASP 12 1HB ASP 12 46.262 5.316 -2.417 75 2HB ASP 12 2HB ASP 12 47.849 5.350 -1.717 76 H ALA 13 H ALA 13 47.645 2.748 -4.346 77 HA ALA 13 HA ALA 13 50.082 1.992 -2.945 78 1HB ALA 13 1HB ALA 13 49.350 -0.323 -3.396 79 2HB ALA 13 2HB ALA 13 47.965 0.312 -4.285 80 3HB ALA 13 3HB ALA 13 48.124 0.627 -2.557 81 H GLY 14 H GLY 14 51.900 1.152 -3.899 82 1HA GLY 14 1HA GLY 14 53.434 0.726 -5.566 83 2HA GLY 14 2HA GLY 14 52.070 0.293 -6.583 84 H ASN 15 H ASN 15 53.004 3.396 -5.103 85 HA ASN 15 HA ASN 15 53.065 4.567 -7.788 86 1HB ASN 15 1HB ASN 15 52.345 6.668 -6.633 87 2HB ASN 15 2HB ASN 15 51.149 5.377 -6.601 88 1HD2 ASN 15 1HD2 ASN 15 50.385 6.865 -4.854 89 2HD2 ASN 15 2HD2 ASN 15 50.963 6.540 -3.253 90 H LYS 16 H LYS 16 55.134 3.435 -5.783 91 HA LYS 16 HA LYS 16 57.294 3.803 -5.293 92 1HB LYS 16 1HB LYS 16 57.337 6.351 -6.838 93 2HB LYS 16 2HB LYS 16 58.562 5.090 -6.727 94 1HG LYS 16 1HG LYS 16 56.026 5.083 -8.332 95 2HG LYS 16 2HG LYS 16 57.687 4.970 -8.899 96 1HD LYS 16 1HD LYS 16 57.520 2.822 -7.223 97 2HD LYS 16 2HD LYS 16 55.893 2.884 -7.907 98 1HE LYS 16 1HE LYS 16 56.659 1.910 -9.750 99 2HE LYS 16 2HE LYS 16 57.699 3.305 -10.036 100 1HZ LYS 16 1HZ LYS 16 59.284 2.161 -8.420 101 2HZ LYS 16 2HZ LYS 16 59.147 1.508 -9.974 102 3HZ LYS 16 3HZ LYS 16 58.356 0.769 -8.675 103 H VAL 17 H VAL 17 54.925 5.467 -4.048 104 HA VAL 17 HA VAL 17 56.536 7.501 -2.688 105 HB VAL 17 HB VAL 17 53.606 7.156 -2.170 106 1HG1 VAL 17 1HG1 VAL 17 55.423 8.875 -1.180 107 2HG1 VAL 17 2HG1 VAL 17 53.712 9.263 -1.352 108 3HG1 VAL 17 3HG1 VAL 17 54.865 9.796 -2.576 109 1HG2 VAL 17 1HG2 VAL 17 52.935 8.319 -4.089 110 2HG2 VAL 17 2HG2 VAL 17 54.087 7.130 -4.692 111 3HG2 VAL 17 3HG2 VAL 17 54.582 8.808 -4.480 112 H CYS 18 H CYS 18 54.467 7.236 -0.403 113 HA CYS 18 HA CYS 18 55.066 4.716 0.802 114 1HB CYS 18 1HB CYS 18 57.168 5.899 1.217 115 2HB CYS 18 2HB CYS 18 56.274 7.236 1.930 116 H SER 19 H SER 19 53.065 4.311 1.392 117 HA SER 19 HA SER 19 51.682 6.247 3.129 118 1HB SER 19 1HB SER 19 50.720 4.825 0.721 119 2HB SER 19 2HB SER 19 49.629 4.766 2.106 120 HG SER 19 HG SER 19 49.956 7.126 2.185 121 H LEU 20 H LEU 20 51.839 5.507 5.068 122 HA LEU 20 HA LEU 20 52.247 2.803 5.785 123 1HB LEU 20 1HB LEU 20 51.405 5.227 7.353 124 2HB LEU 20 2HB LEU 20 51.839 3.691 8.093 125 HG LEU 20 HG LEU 20 53.744 5.069 6.257 126 1HD1 LEU 20 1HD1 LEU 20 54.660 5.879 8.644 127 2HD1 LEU 20 2HD1 LEU 20 52.926 5.944 8.953 128 3HD1 LEU 20 3HD1 LEU 20 53.619 6.867 7.620 129 1HD2 LEU 20 1HD2 LEU 20 54.203 2.771 6.985 130 2HD2 LEU 20 2HD2 LEU 20 54.137 3.297 8.666 131 3HD2 LEU 20 3HD2 LEU 20 55.405 3.906 7.600 132 H GLN 21 H GLN 21 49.451 4.928 5.782 133 HA GLN 21 HA GLN 21 47.673 3.130 7.047 134 1HB GLN 21 1HB GLN 21 46.024 4.701 6.686 135 2HB GLN 21 2HB GLN 21 47.468 5.698 6.625 136 1HG GLN 21 1HG GLN 21 45.954 4.641 4.248 137 2HG GLN 21 2HG GLN 21 45.890 6.289 4.871 138 1HE2 GLN 21 1HE2 GLN 21 46.545 5.781 2.267 139 2HE2 GLN 21 2HE2 GLN 21 48.216 6.155 2.001 140 H CYS 22 H CYS 22 49.138 2.904 4.049 141 HA CYS 22 HA CYS 22 46.944 1.240 3.004 142 1HB CYS 22 1HB CYS 22 48.996 2.948 1.621 143 2HB CYS 22 2HB CYS 22 48.248 1.598 0.780 144 H ASN 23 H ASN 23 50.176 1.401 4.106 145 HA ASN 23 HA ASN 23 51.199 -0.894 2.837 146 1HB ASN 23 1HB ASN 23 52.320 1.197 3.928 147 2HB ASN 23 2HB ASN 23 52.208 0.238 5.398 148 1HD2 ASN 23 1HD2 ASN 23 54.540 0.974 4.678 149 2HD2 ASN 23 2HD2 ASN 23 55.469 -0.323 4.007 150 H ASN 24 H ASN 24 48.892 -1.863 3.714 151 HA ASN 24 HA ASN 24 49.637 -3.379 6.108 152 1HB ASN 24 1HB ASN 24 46.944 -3.741 5.993 153 2HB ASN 24 2HB ASN 24 47.767 -2.623 7.049 154 1HD2 ASN 24 1HD2 ASN 24 48.348 -0.494 5.683 155 2HD2 ASN 24 2HD2 ASN 24 46.968 0.199 4.898 156 H HIS 25 H HIS 25 48.126 -5.356 6.252 157 HA HIS 25 HA HIS 25 48.902 -7.019 4.034 158 1HB HIS 25 1HB HIS 25 49.247 -7.767 6.304 159 2HB HIS 25 2HB HIS 25 47.536 -7.564 6.668 160 HD1 HIS 25 HD1 HIS 25 47.557 -10.142 7.338 161 HD2 HIS 25 HD2 HIS 25 48.272 -9.314 3.335 162 HE1 HIS 25 HE1 HIS 25 47.245 -12.332 6.138 163 HE2 HIS 25 HE2 HIS 25 47.590 -11.786 3.701 164 H ALA 26 H ALA 26 46.025 -5.565 5.344 165 HA ALA 26 HA ALA 26 44.270 -7.169 3.684 166 1HB ALA 26 1HB ALA 26 42.479 -5.786 4.771 167 2HB ALA 26 2HB ALA 26 43.754 -5.042 5.736 168 3HB ALA 26 3HB ALA 26 43.454 -6.776 5.858 169 H CYS 27 H CYS 27 45.972 -4.195 3.336 170 HA CYS 27 HA CYS 27 43.983 -3.266 1.380 171 1HB CYS 27 1HB CYS 27 46.108 -1.905 2.959 172 2HB CYS 27 2HB CYS 27 45.712 -1.249 1.375 173 H GLY 28 H GLY 28 47.210 -4.495 1.724 174 1HA GLY 28 1HA GLY 28 47.887 -5.708 -0.387 175 2HA GLY 28 2HA GLY 28 47.582 -4.177 -1.195 176 H TRP 29 H TRP 29 48.822 -3.535 1.835 177 HA TRP 29 HA TRP 29 50.799 -2.924 2.632 178 1HB TRP 29 1HB TRP 29 51.813 -4.773 0.464 179 2HB TRP 29 2HB TRP 29 52.869 -3.980 1.628 180 HD1 TRP 29 HD1 TRP 29 51.268 -7.180 1.202 181 HE1 TRP 29 HE1 TRP 29 50.953 -8.338 3.487 182 HE3 TRP 29 HE3 TRP 29 51.996 -3.225 4.254 183 HZ2 TRP 29 HZ2 TRP 29 51.017 -7.667 6.166 184 HZ3 TRP 29 HZ3 TRP 29 51.808 -3.508 6.659 185 HH2 TRP 29 HH2 TRP 29 51.342 -5.722 7.624 186 H ASP 30 H ASP 30 49.465 -1.202 0.994 187 HA ASP 30 HA ASP 30 49.645 0.637 -0.335 188 1HB ASP 30 1HB ASP 30 50.903 1.367 1.626 189 2HB ASP 30 2HB ASP 30 52.365 0.654 0.985 190 H GLY 31 H GLY 31 50.577 -1.982 -1.491 191 1HA GLY 31 1HA GLY 31 51.291 -2.625 -3.580 192 2HA GLY 31 2HA GLY 31 51.507 -0.928 -3.969 193 H GLY 32 H GLY 32 53.297 -1.072 -1.325 194 1HA GLY 32 1HA GLY 32 55.476 -1.982 -0.899 195 2HA GLY 32 2HA GLY 32 55.647 -2.265 -2.626 196 H ASP 33 H ASP 33 54.355 0.710 -1.331 197 HA ASP 33 HA ASP 33 56.526 2.169 -2.585 198 1HB ASP 33 1HB ASP 33 54.297 3.525 -1.128 199 2HB ASP 33 2HB ASP 33 55.143 4.009 -2.590 200 H CYS 34 H CYS 34 55.060 1.769 0.627 201 HA CYS 34 HA CYS 34 56.970 3.540 1.852 202 1HB CYS 34 1HB CYS 34 54.675 1.918 2.746 203 2HB CYS 34 2HB CYS 34 55.975 2.038 3.920 204 H SER 35 H SER 35 56.295 0.062 2.245 205 HA SER 35 HA SER 35 57.631 -1.722 2.702 206 1HB SER 35 1HB SER 35 59.996 -0.147 1.704 207 2HB SER 35 2HB SER 35 59.699 -1.881 1.586 208 HG SER 35 HG SER 35 59.334 -0.808 -0.402 Start of MODEL 4 1 1H GLU 1 1H GLU 1 37.390 -7.479 6.576 2 2H GLU 1 2H GLU 1 36.546 -7.626 8.063 3 3H GLU 1 3H GLU 1 37.545 -8.908 7.509 4 HA GLU 1 HA GLU 1 38.299 -6.285 8.567 5 1HB GLU 1 1HB GLU 1 37.979 -8.701 9.743 6 2HB GLU 1 2HB GLU 1 39.662 -8.824 9.250 7 1HG GLU 1 1HG GLU 1 39.867 -7.952 11.357 8 2HG GLU 1 2HG GLU 1 39.879 -6.489 10.373 9 H GLU 2 H GLU 2 39.424 -9.047 6.650 10 HA GLU 2 HA GLU 2 41.865 -7.562 5.986 11 1HB GLU 2 1HB GLU 2 41.133 -10.445 6.049 12 2HB GLU 2 2HB GLU 2 42.313 -9.937 4.848 13 1HG GLU 2 1HG GLU 2 43.810 -10.272 6.461 14 2HG GLU 2 2HG GLU 2 43.258 -8.721 7.090 15 H ALA 3 H ALA 3 40.011 -6.292 4.754 16 HA ALA 3 HA ALA 3 40.231 -7.136 1.967 17 1HB ALA 3 1HB ALA 3 37.984 -7.816 3.001 18 2HB ALA 3 2HB ALA 3 37.958 -6.932 1.474 19 3HB ALA 3 3HB ALA 3 37.614 -6.092 2.987 20 H CYS 4 H CYS 4 41.268 -5.002 3.894 21 HA CYS 4 HA CYS 4 41.930 -2.833 3.736 22 1HB CYS 4 1HB CYS 4 42.484 -3.704 1.441 23 2HB CYS 4 2HB CYS 4 40.974 -3.010 0.884 24 H GLU 5 H GLU 5 41.039 -0.900 4.278 25 HA GLU 5 HA GLU 5 38.203 -0.499 3.627 26 1HB GLU 5 1HB GLU 5 38.082 0.765 5.813 27 2HB GLU 5 2HB GLU 5 38.282 -0.975 5.953 28 1HG GLU 5 1HG GLU 5 40.850 0.290 5.874 29 2HG GLU 5 2HG GLU 5 39.844 1.043 7.111 30 H LEU 6 H LEU 6 40.896 0.457 2.492 31 HA LEU 6 HA LEU 6 40.229 3.325 2.518 32 1HB LEU 6 1HB LEU 6 42.854 1.915 2.612 33 2HB LEU 6 2HB LEU 6 42.751 3.476 1.820 34 HG LEU 6 HG LEU 6 42.063 2.897 4.702 35 1HD1 LEU 6 1HD1 LEU 6 44.150 4.842 4.013 36 2HD1 LEU 6 2HD1 LEU 6 44.537 3.164 3.634 37 3HD1 LEU 6 3HD1 LEU 6 44.106 3.618 5.282 38 1HD2 LEU 6 1HD2 LEU 6 41.847 5.393 3.042 39 2HD2 LEU 6 2HD2 LEU 6 41.951 5.429 4.802 40 3HD2 LEU 6 3HD2 LEU 6 40.601 4.611 4.016 41 HA PRO 7 HA PRO 7 39.495 2.285 -1.797 42 1HB PRO 7 1HB PRO 7 38.488 5.041 -1.889 43 2HB PRO 7 2HB PRO 7 37.637 3.533 -2.230 44 1HG PRO 7 1HG PRO 7 37.120 5.018 -0.036 45 2HG PRO 7 2HG PRO 7 36.984 3.249 -0.043 46 1HD PRO 7 1HD PRO 7 39.174 4.978 1.042 47 2HD PRO 7 2HD PRO 7 38.474 3.487 1.714 48 H GLU 8 H GLU 8 41.421 4.575 -0.203 49 HA GLU 8 HA GLU 8 42.414 5.933 -2.541 50 1HB GLU 8 1HB GLU 8 44.091 6.871 -0.959 51 2HB GLU 8 2HB GLU 8 42.426 7.121 -0.454 52 1HG GLU 8 1HG GLU 8 42.583 5.403 1.185 53 2HG GLU 8 2HG GLU 8 44.155 4.887 0.573 54 H CYS 9 H CYS 9 43.541 3.289 -0.457 55 HA CYS 9 HA CYS 9 46.110 3.014 -1.456 56 1HB CYS 9 1HB CYS 9 44.311 0.728 -0.639 57 2HB CYS 9 2HB CYS 9 46.073 0.776 -0.595 58 H GLN 10 H GLN 10 43.103 2.305 -2.990 59 HA GLN 10 HA GLN 10 43.925 0.358 -4.830 60 1HB GLN 10 1HB GLN 10 41.592 1.820 -4.319 61 2HB GLN 10 2HB GLN 10 42.016 2.209 -5.980 62 1HG GLN 10 1HG GLN 10 42.332 -0.572 -5.702 63 2HG GLN 10 2HG GLN 10 40.806 -0.153 -4.925 64 1HE2 GLN 10 1HE2 GLN 10 42.151 -1.070 -7.753 65 2HE2 GLN 10 2HE2 GLN 10 40.978 -0.450 -8.859 66 H GLU 11 H GLU 11 44.356 3.824 -4.754 67 HA GLU 11 HA GLU 11 45.767 3.673 -7.342 68 1HB GLU 11 1HB GLU 11 44.413 6.057 -6.063 69 2HB GLU 11 2HB GLU 11 45.318 6.095 -7.570 70 1HG GLU 11 1HG GLU 11 43.065 4.177 -7.337 71 2HG GLU 11 2HG GLU 11 42.693 5.890 -7.526 72 H ASP 12 H ASP 12 45.824 4.704 -4.030 73 HA ASP 12 HA ASP 12 48.236 6.160 -4.105 74 1HB ASP 12 1HB ASP 12 46.240 5.279 -2.178 75 2HB ASP 12 2HB ASP 12 47.847 5.298 -1.524 76 H ALA 13 H ALA 13 47.531 2.802 -4.103 77 HA ALA 13 HA ALA 13 50.002 1.992 -2.845 78 1HB ALA 13 1HB ALA 13 47.966 0.624 -2.648 79 2HB ALA 13 2HB ALA 13 49.307 -0.273 -3.361 80 3HB ALA 13 3HB ALA 13 48.008 0.335 -4.387 81 H GLY 14 H GLY 14 51.883 1.463 -3.824 82 1HA GLY 14 1HA GLY 14 53.436 1.146 -5.500 83 2HA GLY 14 2HA GLY 14 52.103 0.707 -6.552 84 H ASN 15 H ASN 15 52.889 3.766 -4.900 85 HA ASN 15 HA ASN 15 52.905 5.079 -7.518 86 1HB ASN 15 1HB ASN 15 52.085 7.081 -6.280 87 2HB ASN 15 2HB ASN 15 50.953 5.734 -6.275 88 1HD2 ASN 15 1HD2 ASN 15 50.170 7.165 -4.471 89 2HD2 ASN 15 2HD2 ASN 15 50.777 6.803 -2.889 90 H LYS 16 H LYS 16 55.015 3.927 -5.565 91 HA LYS 16 HA LYS 16 57.159 4.353 -5.052 92 1HB LYS 16 1HB LYS 16 57.101 6.976 -6.468 93 2HB LYS 16 2HB LYS 16 58.376 5.760 -6.416 94 1HG LYS 16 1HG LYS 16 55.843 5.732 -8.026 95 2HG LYS 16 2HG LYS 16 57.507 5.714 -8.593 96 1HD LYS 16 1HD LYS 16 57.482 3.481 -7.073 97 2HD LYS 16 2HD LYS 16 55.812 3.510 -7.641 98 1HE LYS 16 1HE LYS 16 56.909 3.946 -9.966 99 2HE LYS 16 2HE LYS 16 58.347 3.267 -9.206 100 1HZ LYS 16 1HZ LYS 16 56.516 1.463 -8.517 101 2HZ LYS 16 2HZ LYS 16 57.455 1.346 -9.918 102 3HZ LYS 16 3HZ LYS 16 55.882 1.962 -10.005 103 H VAL 17 H VAL 17 54.731 5.868 -3.727 104 HA VAL 17 HA VAL 17 56.268 7.890 -2.270 105 HB VAL 17 HB VAL 17 53.352 7.408 -1.777 106 1HG1 VAL 17 1HG1 VAL 17 54.512 10.111 -2.025 107 2HG1 VAL 17 2HG1 VAL 17 55.101 9.133 -0.681 108 3HG1 VAL 17 3HG1 VAL 17 53.377 9.466 -0.839 109 1HG2 VAL 17 1HG2 VAL 17 54.276 9.224 -3.983 110 2HG2 VAL 17 2HG2 VAL 17 52.645 8.652 -3.632 111 3HG2 VAL 17 3HG2 VAL 17 53.843 7.543 -4.294 112 H CYS 18 H CYS 18 54.205 7.427 -0.004 113 HA CYS 18 HA CYS 18 54.890 4.881 1.080 114 1HB CYS 18 1HB CYS 18 56.965 6.098 1.537 115 2HB CYS 18 2HB CYS 18 56.043 7.374 2.321 116 H SER 19 H SER 19 52.909 4.395 1.672 117 HA SER 19 HA SER 19 51.505 6.197 3.529 118 1HB SER 19 1HB SER 19 49.512 4.649 2.350 119 2HB SER 19 2HB SER 19 49.854 6.342 1.994 120 HG SER 19 HG SER 19 50.665 5.781 0.133 121 H LEU 20 H LEU 20 51.688 5.334 5.413 122 HA LEU 20 HA LEU 20 52.146 2.594 5.947 123 1HB LEU 20 1HB LEU 20 51.265 4.892 7.677 124 2HB LEU 20 2HB LEU 20 51.731 3.317 8.310 125 HG LEU 20 HG LEU 20 53.598 4.869 6.572 126 1HD1 LEU 20 1HD1 LEU 20 52.764 6.326 8.449 127 2HD1 LEU 20 2HD1 LEU 20 54.506 6.044 8.419 128 3HD1 LEU 20 3HD1 LEU 20 53.490 5.167 9.564 129 1HD2 LEU 20 1HD2 LEU 20 55.207 3.447 7.333 130 2HD2 LEU 20 2HD2 LEU 20 53.806 2.388 7.486 131 3HD2 LEU 20 3HD2 LEU 20 54.432 3.232 8.903 132 H GLN 21 H GLN 21 49.324 4.646 5.964 133 HA GLN 21 HA GLN 21 47.555 2.765 7.145 134 1HB GLN 21 1HB GLN 21 45.915 4.380 5.607 135 2HB GLN 21 2HB GLN 21 46.350 4.642 7.286 136 1HG GLN 21 1HG GLN 21 46.655 6.665 6.034 137 2HG GLN 21 2HG GLN 21 48.222 6.059 6.563 138 1HE2 GLN 21 1HE2 GLN 21 46.127 5.212 3.829 139 2HE2 GLN 21 2HE2 GLN 21 47.314 5.517 2.604 140 H CYS 22 H CYS 22 49.096 2.677 4.194 141 HA CYS 22 HA CYS 22 46.965 1.006 3.040 142 1HB CYS 22 1HB CYS 22 48.977 2.831 1.745 143 2HB CYS 22 2HB CYS 22 48.233 1.518 0.842 144 H ASN 23 H ASN 23 50.166 1.209 4.209 145 HA ASN 23 HA ASN 23 51.286 -0.973 2.821 146 1HB ASN 23 1HB ASN 23 52.316 1.103 4.030 147 2HB ASN 23 2HB ASN 23 52.240 0.058 5.443 148 1HD2 ASN 23 1HD2 ASN 23 54.543 0.926 4.772 149 2HD2 ASN 23 2HD2 ASN 23 55.523 -0.295 4.037 150 H ASN 24 H ASN 24 49.008 -2.061 3.629 151 HA ASN 24 HA ASN 24 49.787 -3.668 5.953 152 1HB ASN 24 1HB ASN 24 47.111 -4.116 5.792 153 2HB ASN 24 2HB ASN 24 47.883 -3.020 6.907 154 1HD2 ASN 24 1HD2 ASN 24 48.397 -0.807 5.664 155 2HD2 ASN 24 2HD2 ASN 24 47.002 -0.127 4.890 156 H HIS 25 H HIS 25 48.350 -5.699 5.986 157 HA HIS 25 HA HIS 25 49.192 -7.224 3.694 158 1HB HIS 25 1HB HIS 25 49.552 -8.070 5.928 159 2HB HIS 25 2HB HIS 25 47.832 -7.943 6.288 160 HD1 HIS 25 HD1 HIS 25 47.951 -10.553 6.830 161 HD2 HIS 25 HD2 HIS 25 48.637 -9.495 2.877 162 HE1 HIS 25 HE1 HIS 25 47.720 -12.687 5.518 163 HE2 HIS 25 HE2 HIS 25 48.238 -12.041 3.137 164 H ALA 26 H ALA 26 46.272 -5.911 5.042 165 HA ALA 26 HA ALA 26 44.568 -7.497 3.313 166 1HB ALA 26 1HB ALA 26 42.733 -6.223 4.446 167 2HB ALA 26 2HB ALA 26 43.977 -5.452 5.430 168 3HB ALA 26 3HB ALA 26 43.749 -7.199 5.507 169 H CYS 27 H CYS 27 46.161 -4.433 3.126 170 HA CYS 27 HA CYS 27 44.170 -3.503 1.177 171 1HB CYS 27 1HB CYS 27 46.235 -2.133 2.826 172 2HB CYS 27 2HB CYS 27 45.829 -1.429 1.265 173 H GLY 28 H GLY 28 47.426 -4.654 1.498 174 1HA GLY 28 1HA GLY 28 48.162 -5.753 -0.650 175 2HA GLY 28 2HA GLY 28 47.811 -4.203 -1.401 176 H TRP 29 H TRP 29 49.007 -3.643 1.665 177 HA TRP 29 HA TRP 29 50.956 -3.002 2.504 178 1HB TRP 29 1HB TRP 29 52.052 -4.707 0.258 179 2HB TRP 29 2HB TRP 29 53.068 -3.935 1.471 180 HD1 TRP 29 HD1 TRP 29 51.577 -7.164 0.872 181 HE1 TRP 29 HE1 TRP 29 51.289 -8.444 3.095 182 HE3 TRP 29 HE3 TRP 29 52.158 -3.343 4.121 183 HZ2 TRP 29 HZ2 TRP 29 51.317 -7.906 5.803 184 HZ3 TRP 29 HZ3 TRP 29 51.966 -3.753 6.507 185 HH2 TRP 29 HH2 TRP 29 51.569 -6.026 7.359 186 H ASP 30 H ASP 30 49.561 -1.270 0.927 187 HA ASP 30 HA ASP 30 49.669 0.639 -0.304 188 1HB ASP 30 1HB ASP 30 50.899 1.315 1.700 189 2HB ASP 30 2HB ASP 30 52.390 0.711 1.015 190 H GLY 31 H GLY 31 50.717 -1.882 -1.575 191 1HA GLY 31 1HA GLY 31 51.458 -2.397 -3.690 192 2HA GLY 31 2HA GLY 31 51.601 -0.675 -4.001 193 H GLY 32 H GLY 32 53.393 -0.882 -1.353 194 1HA GLY 32 1HA GLY 32 55.611 -1.711 -0.970 195 2HA GLY 32 2HA GLY 32 55.794 -1.904 -2.709 196 H ASP 33 H ASP 33 54.378 0.941 -1.257 197 HA ASP 33 HA ASP 33 56.472 2.562 -2.444 198 1HB ASP 33 1HB ASP 33 54.170 3.710 -0.917 199 2HB ASP 33 2HB ASP 33 55.008 4.343 -2.325 200 H CYS 34 H CYS 34 55.033 1.931 0.740 201 HA CYS 34 HA CYS 34 56.865 3.720 2.055 202 1HB CYS 34 1HB CYS 34 54.641 1.961 2.862 203 2HB CYS 34 2HB CYS 34 55.935 2.072 4.044 204 H SER 35 H SER 35 56.338 0.203 2.300 205 HA SER 35 HA SER 35 59.010 -0.536 1.877 206 1HB SER 35 1HB SER 35 59.291 0.647 4.079 207 2HB SER 35 2HB SER 35 58.248 -0.576 4.803 208 HG SER 35 HG SER 35 60.813 -0.736 4.506 Start of MODEL 5 1 1H GLU 1 1H GLU 1 39.779 -9.915 9.766 2 2H GLU 1 2H GLU 1 38.404 -9.151 10.452 3 3H GLU 1 3H GLU 1 39.849 -8.259 10.201 4 HA GLU 1 HA GLU 1 38.372 -9.531 8.010 5 1HB GLU 1 1HB GLU 1 37.035 -7.874 9.459 6 2HB GLU 1 2HB GLU 1 38.124 -6.644 8.833 7 1HG GLU 1 1HG GLU 1 36.097 -6.663 7.545 8 2HG GLU 1 2HG GLU 1 37.436 -7.229 6.547 9 H GLU 2 H GLU 2 39.482 -9.377 6.170 10 HA GLU 2 HA GLU 2 41.581 -7.325 5.953 11 1HB GLU 2 1HB GLU 2 42.916 -9.022 4.655 12 2HB GLU 2 2HB GLU 2 42.757 -9.353 6.375 13 1HG GLU 2 1HG GLU 2 40.801 -10.855 5.727 14 2HG GLU 2 2HG GLU 2 41.403 -10.716 4.076 15 H ALA 3 H ALA 3 40.000 -6.098 4.772 16 HA ALA 3 HA ALA 3 39.900 -6.882 1.961 17 1HB ALA 3 1HB ALA 3 37.646 -6.823 1.730 18 2HB ALA 3 2HB ALA 3 37.440 -5.623 3.006 19 3HB ALA 3 3HB ALA 3 37.706 -7.315 3.423 20 H CYS 4 H CYS 4 41.212 -4.841 3.832 21 HA CYS 4 HA CYS 4 41.963 -2.702 3.650 22 1HB CYS 4 1HB CYS 4 42.275 -3.570 1.298 23 2HB CYS 4 2HB CYS 4 40.771 -2.769 0.883 24 H GLU 5 H GLU 5 41.225 -0.690 4.212 25 HA GLU 5 HA GLU 5 38.351 -0.202 3.874 26 1HB GLU 5 1HB GLU 5 38.265 0.839 6.032 27 2HB GLU 5 2HB GLU 5 39.018 -0.738 6.225 28 1HG GLU 5 1HG GLU 5 41.231 0.362 6.216 29 2HG GLU 5 2HG GLU 5 40.418 1.926 6.140 30 H LEU 6 H LEU 6 40.988 0.668 2.488 31 HA LEU 6 HA LEU 6 40.275 3.519 2.398 32 1HB LEU 6 1HB LEU 6 42.999 2.256 2.461 33 2HB LEU 6 2HB LEU 6 42.737 3.889 1.889 34 HG LEU 6 HG LEU 6 43.410 4.203 4.088 35 1HD1 LEU 6 1HD1 LEU 6 41.001 5.078 3.434 36 2HD1 LEU 6 2HD1 LEU 6 41.681 5.327 5.042 37 3HD1 LEU 6 3HD1 LEU 6 40.529 4.021 4.765 38 1HD2 LEU 6 1HD2 LEU 6 41.918 1.682 4.619 39 2HD2 LEU 6 2HD2 LEU 6 42.185 2.817 5.941 40 3HD2 LEU 6 3HD2 LEU 6 43.559 2.139 5.070 41 HA PRO 7 HA PRO 7 39.724 2.197 -1.868 42 1HB PRO 7 1HB PRO 7 38.610 4.898 -2.152 43 2HB PRO 7 2HB PRO 7 37.833 3.338 -2.430 44 1HG PRO 7 1HG PRO 7 37.184 4.922 -0.342 45 2HG PRO 7 2HG PRO 7 37.124 3.152 -0.250 46 1HD PRO 7 1HD PRO 7 39.203 5.035 0.795 47 2HD PRO 7 2HD PRO 7 38.544 3.557 1.534 48 H GLU 8 H GLU 8 41.489 4.677 -0.363 49 HA GLU 8 HA GLU 8 42.473 5.992 -2.704 50 1HB GLU 8 1HB GLU 8 44.231 6.865 -1.107 51 2HB GLU 8 2HB GLU 8 42.563 7.237 -0.693 52 1HG GLU 8 1HG GLU 8 42.532 5.681 1.054 53 2HG GLU 8 2HG GLU 8 43.992 4.877 0.477 54 H CYS 9 H CYS 9 43.625 3.316 -0.690 55 HA CYS 9 HA CYS 9 46.197 3.054 -1.643 56 1HB CYS 9 1HB CYS 9 44.375 0.713 -1.087 57 2HB CYS 9 2HB CYS 9 46.130 0.781 -0.930 58 H GLN 10 H GLN 10 43.226 2.425 -3.307 59 HA GLN 10 HA GLN 10 44.065 0.622 -5.256 60 1HB GLN 10 1HB GLN 10 41.713 1.408 -4.867 61 2HB GLN 10 2HB GLN 10 42.136 2.909 -5.680 62 1HG GLN 10 1HG GLN 10 42.908 0.734 -7.342 63 2HG GLN 10 2HG GLN 10 41.246 0.478 -6.812 64 1HE2 GLN 10 1HE2 GLN 10 40.120 2.850 -6.740 65 2HE2 GLN 10 2HE2 GLN 10 40.178 3.645 -8.273 66 H GLU 11 H GLU 11 44.567 4.078 -4.970 67 HA GLU 11 HA GLU 11 46.149 4.014 -7.461 68 1HB GLU 11 1HB GLU 11 45.752 6.453 -7.608 69 2HB GLU 11 2HB GLU 11 44.262 5.523 -7.687 70 1HG GLU 11 1HG GLU 11 43.764 6.047 -5.387 71 2HG GLU 11 2HG GLU 11 45.307 6.882 -5.214 72 H ASP 12 H ASP 12 46.000 4.879 -4.107 73 HA ASP 12 HA ASP 12 48.434 6.301 -3.962 74 1HB ASP 12 1HB ASP 12 46.290 5.396 -2.215 75 2HB ASP 12 2HB ASP 12 47.847 5.356 -1.449 76 H ALA 13 H ALA 13 47.729 2.983 -4.256 77 HA ALA 13 HA ALA 13 50.126 2.113 -2.852 78 1HB ALA 13 1HB ALA 13 49.388 -0.127 -3.277 79 2HB ALA 13 2HB ALA 13 48.183 0.439 -4.435 80 3HB ALA 13 3HB ALA 13 48.004 0.814 -2.721 81 H GLY 14 H GLY 14 51.976 1.377 -3.810 82 1HA GLY 14 1HA GLY 14 53.557 1.072 -5.458 83 2HA GLY 14 2HA GLY 14 52.226 0.651 -6.522 84 H ASN 15 H ASN 15 53.016 3.715 -4.892 85 HA ASN 15 HA ASN 15 53.128 4.995 -7.524 86 1HB ASN 15 1HB ASN 15 52.305 7.024 -6.306 87 2HB ASN 15 2HB ASN 15 51.150 5.699 -6.378 88 1HD2 ASN 15 1HD2 ASN 15 50.280 7.088 -4.596 89 2HD2 ASN 15 2HD2 ASN 15 50.806 6.705 -2.991 90 H LYS 16 H LYS 16 55.167 3.848 -5.493 91 HA LYS 16 HA LYS 16 57.298 4.263 -4.919 92 1HB LYS 16 1HB LYS 16 57.303 6.871 -6.363 93 2HB LYS 16 2HB LYS 16 58.569 5.649 -6.254 94 1HG LYS 16 1HG LYS 16 56.094 5.620 -7.952 95 2HG LYS 16 2HG LYS 16 57.777 5.575 -8.458 96 1HD LYS 16 1HD LYS 16 57.598 3.366 -6.855 97 2HD LYS 16 2HD LYS 16 56.010 3.405 -7.625 98 1HE LYS 16 1HE LYS 16 56.916 2.491 -9.435 99 2HE LYS 16 2HE LYS 16 57.880 3.951 -9.651 100 1HZ LYS 16 1HZ LYS 16 59.365 2.754 -7.859 101 2HZ LYS 16 2HZ LYS 16 59.526 2.413 -9.507 102 3HZ LYS 16 3HZ LYS 16 58.643 1.369 -8.511 103 H VAL 17 H VAL 17 54.836 5.817 -3.697 104 HA VAL 17 HA VAL 17 56.344 7.831 -2.197 105 HB VAL 17 HB VAL 17 53.406 7.399 -1.806 106 1HG1 VAL 17 1HG1 VAL 17 54.650 10.073 -2.057 107 2HG1 VAL 17 2HG1 VAL 17 55.118 9.106 -0.659 108 3HG1 VAL 17 3HG1 VAL 17 53.421 9.494 -0.933 109 1HG2 VAL 17 1HG2 VAL 17 52.785 8.647 -3.699 110 2HG2 VAL 17 2HG2 VAL 17 53.954 7.474 -4.302 111 3HG2 VAL 17 3HG2 VAL 17 54.445 9.143 -4.023 112 H CYS 18 H CYS 18 54.187 7.418 -0.010 113 HA CYS 18 HA CYS 18 54.845 4.867 1.114 114 1HB CYS 18 1HB CYS 18 56.845 6.149 1.702 115 2HB CYS 18 2HB CYS 18 55.833 7.398 2.418 116 H SER 19 H SER 19 52.844 4.323 1.561 117 HA SER 19 HA SER 19 51.226 6.112 3.254 118 1HB SER 19 1HB SER 19 50.471 4.473 0.868 119 2HB SER 19 2HB SER 19 49.298 4.626 2.176 120 HG SER 19 HG SER 19 50.583 6.864 1.015 121 H LEU 20 H LEU 20 51.338 5.371 5.198 122 HA LEU 20 HA LEU 20 51.932 2.699 5.921 123 1HB LEU 20 1HB LEU 20 50.839 5.044 7.454 124 2HB LEU 20 2HB LEU 20 51.337 3.536 8.212 125 HG LEU 20 HG LEU 20 53.245 5.026 6.476 126 1HD1 LEU 20 1HD1 LEU 20 54.049 6.161 8.589 127 2HD1 LEU 20 2HD1 LEU 20 52.497 5.721 9.303 128 3HD1 LEU 20 3HD1 LEU 20 52.550 6.780 7.895 129 1HD2 LEU 20 1HD2 LEU 20 54.905 3.946 7.790 130 2HD2 LEU 20 2HD2 LEU 20 53.701 2.725 7.373 131 3HD2 LEU 20 3HD2 LEU 20 53.714 3.435 8.987 132 H GLN 21 H GLN 21 48.968 4.621 5.992 133 HA GLN 21 HA GLN 21 47.322 2.609 7.084 134 1HB GLN 21 1HB GLN 21 45.495 4.020 6.638 135 2HB GLN 21 2HB GLN 21 46.841 5.108 6.941 136 1HG GLN 21 1HG GLN 21 45.839 4.319 4.214 137 2HG GLN 21 2HG GLN 21 45.427 5.812 5.057 138 1HE2 GLN 21 1HE2 GLN 21 46.738 5.486 2.510 139 2HE2 GLN 21 2HE2 GLN 21 48.285 6.251 2.649 140 H CYS 22 H CYS 22 48.859 2.646 4.128 141 HA CYS 22 HA CYS 22 46.793 0.934 2.917 142 1HB CYS 22 1HB CYS 22 48.820 2.797 1.706 143 2HB CYS 22 2HB CYS 22 48.152 1.467 0.769 144 H ASN 23 H ASN 23 49.960 1.178 4.171 145 HA ASN 23 HA ASN 23 51.143 -1.000 2.829 146 1HB ASN 23 1HB ASN 23 52.121 1.078 4.068 147 2HB ASN 23 2HB ASN 23 51.991 0.044 5.483 148 1HD2 ASN 23 1HD2 ASN 23 54.314 0.945 4.849 149 2HD2 ASN 23 2HD2 ASN 23 55.327 -0.288 4.181 150 H ASN 24 H ASN 24 48.816 -2.080 3.591 151 HA ASN 24 HA ASN 24 49.555 -3.709 5.913 152 1HB ASN 24 1HB ASN 24 46.880 -4.143 5.715 153 2HB ASN 24 2HB ASN 24 47.641 -3.054 6.844 154 1HD2 ASN 24 1HD2 ASN 24 48.181 -0.842 5.600 155 2HD2 ASN 24 2HD2 ASN 24 46.796 -0.156 4.816 156 H HIS 25 H HIS 25 48.083 -5.727 5.904 157 HA HIS 25 HA HIS 25 48.957 -7.247 3.621 158 1HB HIS 25 1HB HIS 25 49.251 -8.112 5.858 159 2HB HIS 25 2HB HIS 25 47.524 -7.962 6.179 160 HD1 HIS 25 HD1 HIS 25 47.585 -10.573 6.710 161 HD2 HIS 25 HD2 HIS 25 48.395 -9.510 2.782 162 HE1 HIS 25 HE1 HIS 25 47.356 -12.698 5.382 163 HE2 HIS 25 HE2 HIS 25 47.766 -12.013 2.990 164 H ALA 26 H ALA 26 46.020 -5.912 4.921 165 HA ALA 26 HA ALA 26 44.338 -7.444 3.123 166 1HB ALA 26 1HB ALA 26 43.644 -5.368 5.186 167 2HB ALA 26 2HB ALA 26 43.557 -7.120 5.375 168 3HB ALA 26 3HB ALA 26 42.479 -6.299 4.245 169 H CYS 27 H CYS 27 45.986 -4.414 3.020 170 HA CYS 27 HA CYS 27 44.050 -3.396 1.057 171 1HB CYS 27 1HB CYS 27 46.124 -2.117 2.766 172 2HB CYS 27 2HB CYS 27 45.784 -1.379 1.205 173 H GLY 28 H GLY 28 47.270 -4.637 1.409 174 1HA GLY 28 1HA GLY 28 48.023 -5.728 -0.735 175 2HA GLY 28 2HA GLY 28 47.707 -4.167 -1.479 176 H TRP 29 H TRP 29 48.860 -3.663 1.611 177 HA TRP 29 HA TRP 29 50.804 -3.051 2.492 178 1HB TRP 29 1HB TRP 29 51.910 -4.763 0.257 179 2HB TRP 29 2HB TRP 29 52.920 -4.011 1.488 180 HD1 TRP 29 HD1 TRP 29 51.396 -7.216 0.859 181 HE1 TRP 29 HE1 TRP 29 51.045 -8.492 3.076 182 HE3 TRP 29 HE3 TRP 29 51.961 -3.404 4.121 183 HZ2 TRP 29 HZ2 TRP 29 51.023 -7.953 5.785 184 HZ3 TRP 29 HZ3 TRP 29 51.716 -3.807 6.502 185 HH2 TRP 29 HH2 TRP 29 51.269 -6.075 7.346 186 H ASP 30 H ASP 30 49.472 -1.283 0.881 187 HA ASP 30 HA ASP 30 49.654 0.622 -0.354 188 1HB ASP 30 1HB ASP 30 50.783 1.323 1.680 189 2HB ASP 30 2HB ASP 30 52.293 0.640 1.124 190 H GLY 31 H GLY 31 50.709 -1.909 -1.588 191 1HA GLY 31 1HA GLY 31 51.545 -2.441 -3.662 192 2HA GLY 31 2HA GLY 31 51.712 -0.721 -3.973 193 H GLY 32 H GLY 32 53.391 -0.911 -1.258 194 1HA GLY 32 1HA GLY 32 55.583 -1.748 -0.767 195 2HA GLY 32 2HA GLY 32 55.838 -1.970 -2.493 196 H ASP 33 H ASP 33 54.381 0.913 -1.167 197 HA ASP 33 HA ASP 33 56.550 2.488 -2.274 198 1HB ASP 33 1HB ASP 33 54.206 3.727 -0.901 199 2HB ASP 33 2HB ASP 33 55.099 4.269 -2.312 200 H CYS 34 H CYS 34 54.955 1.918 0.847 201 HA CYS 34 HA CYS 34 56.717 3.734 2.219 202 1HB CYS 34 1HB CYS 34 54.467 1.972 2.949 203 2HB CYS 34 2HB CYS 34 55.704 2.117 4.186 204 H SER 35 H SER 35 56.192 0.219 2.481 205 HA SER 35 HA SER 35 58.874 -0.531 2.191 206 1HB SER 35 1HB SER 35 58.070 0.279 4.918 207 2HB SER 35 2HB SER 35 58.929 -1.257 4.806 208 HG SER 35 HG SER 35 59.794 1.309 3.994 Start of MODEL 6 1 1H GLU 1 1H GLU 1 39.380 -10.473 8.918 2 2H GLU 1 2H GLU 1 38.787 -9.554 10.241 3 3H GLU 1 3H GLU 1 40.406 -9.352 9.711 4 HA GLU 1 HA GLU 1 38.112 -8.845 7.961 5 1HB GLU 1 1HB GLU 1 38.288 -6.483 8.622 6 2HB GLU 1 2HB GLU 1 37.836 -7.500 9.984 7 1HG GLU 1 1HG GLU 1 40.375 -7.516 10.492 8 2HG GLU 1 2HG GLU 1 40.417 -6.100 9.445 9 H GLU 2 H GLU 2 39.133 -9.235 6.066 10 HA GLU 2 HA GLU 2 41.578 -7.686 5.537 11 1HB GLU 2 1HB GLU 2 41.905 -10.219 5.829 12 2HB GLU 2 2HB GLU 2 41.065 -10.378 4.291 13 1HG GLU 2 1HG GLU 2 42.785 -8.856 3.299 14 2HG GLU 2 2HG GLU 2 43.668 -8.972 4.821 15 H ALA 3 H ALA 3 39.954 -6.137 4.730 16 HA ALA 3 HA ALA 3 39.387 -6.666 1.916 17 1HB ALA 3 1HB ALA 3 37.346 -7.075 3.442 18 2HB ALA 3 2HB ALA 3 37.140 -6.089 1.995 19 3HB ALA 3 3HB ALA 3 37.295 -5.317 3.574 20 H CYS 4 H CYS 4 41.190 -4.955 3.714 21 HA CYS 4 HA CYS 4 42.176 -2.910 3.569 22 1HB CYS 4 1HB CYS 4 42.085 -3.559 1.151 23 2HB CYS 4 2HB CYS 4 40.596 -2.642 1.012 24 H GLU 5 H GLU 5 41.790 -0.760 4.186 25 HA GLU 5 HA GLU 5 38.961 -0.052 4.524 26 1HB GLU 5 1HB GLU 5 39.499 1.016 6.626 27 2HB GLU 5 2HB GLU 5 40.059 -0.650 6.662 28 1HG GLU 5 1HG GLU 5 42.286 0.564 5.778 29 2HG GLU 5 2HG GLU 5 41.584 1.867 6.736 30 H LEU 6 H LEU 6 41.344 0.649 2.621 31 HA LEU 6 HA LEU 6 40.690 3.506 2.530 32 1HB LEU 6 1HB LEU 6 43.368 2.212 2.629 33 2HB LEU 6 2HB LEU 6 43.172 3.655 1.654 34 HG LEU 6 HG LEU 6 44.007 4.324 3.784 35 1HD1 LEU 6 1HD1 LEU 6 42.018 5.566 2.692 36 2HD1 LEU 6 2HD1 LEU 6 42.483 5.972 4.344 37 3HD1 LEU 6 3HD1 LEU 6 41.092 4.928 4.051 38 1HD2 LEU 6 1HD2 LEU 6 41.718 3.340 5.350 39 2HD2 LEU 6 2HD2 LEU 6 43.424 3.463 5.779 40 3HD2 LEU 6 3HD2 LEU 6 42.858 2.117 4.790 41 HA PRO 7 HA PRO 7 39.777 1.969 -1.603 42 1HB PRO 7 1HB PRO 7 38.524 4.595 -1.927 43 2HB PRO 7 2HB PRO 7 37.786 2.995 -2.003 44 1HG PRO 7 1HG PRO 7 37.319 4.726 0.026 45 2HG PRO 7 2HG PRO 7 37.304 2.965 0.242 46 1HD PRO 7 1HD PRO 7 39.442 4.943 0.934 47 2HD PRO 7 2HD PRO 7 38.894 3.509 1.834 48 H GLU 8 H GLU 8 41.620 4.533 -0.390 49 HA GLU 8 HA GLU 8 42.312 5.741 -2.908 50 1HB GLU 8 1HB GLU 8 43.836 7.093 -1.664 51 2HB GLU 8 2HB GLU 8 42.367 6.940 -0.711 52 1HG GLU 8 1HG GLU 8 43.786 4.881 0.278 53 2HG GLU 8 2HG GLU 8 45.092 5.977 -0.166 54 H CYS 9 H CYS 9 43.656 3.219 -0.854 55 HA CYS 9 HA CYS 9 46.223 3.016 -1.781 56 1HB CYS 9 1HB CYS 9 44.460 0.605 -1.345 57 2HB CYS 9 2HB CYS 9 46.206 0.730 -1.125 58 H GLN 10 H GLN 10 43.310 2.331 -3.538 59 HA GLN 10 HA GLN 10 44.254 0.606 -5.502 60 1HB GLN 10 1HB GLN 10 42.407 1.322 -6.853 61 2HB GLN 10 2HB GLN 10 41.874 1.298 -5.178 62 1HG GLN 10 1HG GLN 10 42.228 3.740 -5.070 63 2HG GLN 10 2HG GLN 10 42.645 3.724 -6.783 64 1HE2 GLN 10 1HE2 GLN 10 41.035 3.294 -8.309 65 2HE2 GLN 10 2HE2 GLN 10 39.356 3.441 -7.926 66 H GLU 11 H GLU 11 44.605 4.086 -5.176 67 HA GLU 11 HA GLU 11 46.303 4.090 -7.589 68 1HB GLU 11 1HB GLU 11 44.705 6.357 -6.380 69 2HB GLU 11 2HB GLU 11 45.807 6.523 -7.740 70 1HG GLU 11 1HG GLU 11 43.880 4.419 -8.191 71 2HG GLU 11 2HG GLU 11 43.095 5.960 -7.843 72 H ASP 12 H ASP 12 45.966 4.927 -4.246 73 HA ASP 12 HA ASP 12 48.311 6.475 -3.985 74 1HB ASP 12 1HB ASP 12 46.153 5.429 -2.338 75 2HB ASP 12 2HB ASP 12 47.678 5.465 -1.509 76 H ALA 13 H ALA 13 47.757 3.106 -4.260 77 HA ALA 13 HA ALA 13 50.189 2.379 -2.834 78 1HB ALA 13 1HB ALA 13 48.184 0.963 -2.630 79 2HB ALA 13 2HB ALA 13 49.566 0.083 -3.286 80 3HB ALA 13 3HB ALA 13 48.271 0.620 -4.357 81 H GLY 14 H GLY 14 52.011 1.461 -3.800 82 1HA GLY 14 1HA GLY 14 53.606 1.200 -5.440 83 2HA GLY 14 2HA GLY 14 52.273 0.833 -6.523 84 H ASN 15 H ASN 15 53.040 3.858 -4.818 85 HA ASN 15 HA ASN 15 53.270 5.177 -7.423 86 1HB ASN 15 1HB ASN 15 52.400 7.191 -6.228 87 2HB ASN 15 2HB ASN 15 51.245 5.867 -6.335 88 1HD2 ASN 15 1HD2 ASN 15 50.383 7.350 -4.580 89 2HD2 ASN 15 2HD2 ASN 15 50.832 6.931 -2.961 90 H LYS 16 H LYS 16 55.216 3.982 -5.342 91 HA LYS 16 HA LYS 16 57.324 4.369 -4.673 92 1HB LYS 16 1HB LYS 16 57.405 7.007 -6.059 93 2HB LYS 16 2HB LYS 16 58.655 5.771 -5.932 94 1HG LYS 16 1HG LYS 16 56.240 5.798 -7.715 95 2HG LYS 16 2HG LYS 16 57.939 5.766 -8.166 96 1HD LYS 16 1HD LYS 16 57.783 3.514 -6.681 97 2HD LYS 16 2HD LYS 16 56.155 3.572 -7.361 98 1HE LYS 16 1HE LYS 16 57.587 4.111 -9.567 99 2HE LYS 16 2HE LYS 16 58.762 3.133 -8.688 100 1HZ LYS 16 1HZ LYS 16 56.658 1.600 -8.391 101 2HZ LYS 16 2HZ LYS 16 57.637 1.504 -9.768 102 3HZ LYS 16 3HZ LYS 16 56.182 2.365 -9.824 103 H VAL 17 H VAL 17 54.830 5.905 -3.504 104 HA VAL 17 HA VAL 17 56.279 7.902 -1.931 105 HB VAL 17 HB VAL 17 53.340 7.408 -1.615 106 1HG1 VAL 17 1HG1 VAL 17 54.999 9.109 -0.375 107 2HG1 VAL 17 2HG1 VAL 17 53.296 9.465 -0.665 108 3HG1 VAL 17 3HG1 VAL 17 54.529 10.111 -1.747 109 1HG2 VAL 17 1HG2 VAL 17 52.735 8.652 -3.495 110 2HG2 VAL 17 2HG2 VAL 17 54.009 7.595 -4.101 111 3HG2 VAL 17 3HG2 VAL 17 54.367 9.278 -3.724 112 H CYS 18 H CYS 18 54.089 7.409 0.209 113 HA CYS 18 HA CYS 18 54.727 4.852 1.301 114 1HB CYS 18 1HB CYS 18 56.764 6.084 1.886 115 2HB CYS 18 2HB CYS 18 55.787 7.335 2.643 116 H SER 19 H SER 19 52.721 4.345 1.779 117 HA SER 19 HA SER 19 51.201 6.121 3.570 118 1HB SER 19 1HB SER 19 49.275 4.585 2.300 119 2HB SER 19 2HB SER 19 49.659 6.264 1.920 120 HG SER 19 HG SER 19 50.250 5.556 0.045 121 H LEU 20 H LEU 20 51.296 5.249 5.455 122 HA LEU 20 HA LEU 20 51.748 2.506 5.995 123 1HB LEU 20 1HB LEU 20 50.772 4.788 7.698 124 2HB LEU 20 2HB LEU 20 51.225 3.213 8.340 125 HG LEU 20 HG LEU 20 53.156 4.784 6.694 126 1HD1 LEU 20 1HD1 LEU 20 53.951 5.425 9.177 127 2HD1 LEU 20 2HD1 LEU 20 52.204 5.422 9.412 128 3HD1 LEU 20 3HD1 LEU 20 52.927 6.463 8.187 129 1HD2 LEU 20 1HD2 LEU 20 53.681 2.992 9.047 130 2HD2 LEU 20 2HD2 LEU 20 54.798 3.497 7.779 131 3HD2 LEU 20 3HD2 LEU 20 53.497 2.366 7.409 132 H GLN 21 H GLN 21 48.920 4.543 5.855 133 HA GLN 21 HA GLN 21 47.104 2.653 6.957 134 1HB GLN 21 1HB GLN 21 45.540 4.265 5.332 135 2HB GLN 21 2HB GLN 21 45.877 4.517 7.035 136 1HG GLN 21 1HG GLN 21 46.244 6.552 5.827 137 2HG GLN 21 2HG GLN 21 47.786 5.944 6.424 138 1HE2 GLN 21 1HE2 GLN 21 45.829 5.120 3.582 139 2HE2 GLN 21 2HE2 GLN 21 47.073 5.444 2.419 140 H CYS 22 H CYS 22 48.797 2.558 4.094 141 HA CYS 22 HA CYS 22 46.733 0.875 2.842 142 1HB CYS 22 1HB CYS 22 48.734 2.770 1.646 143 2HB CYS 22 2HB CYS 22 48.125 1.414 0.705 144 H ASN 23 H ASN 23 49.866 1.096 4.169 145 HA ASN 23 HA ASN 23 51.079 -1.051 2.798 146 1HB ASN 23 1HB ASN 23 52.026 1.016 4.085 147 2HB ASN 23 2HB ASN 23 51.893 -0.049 5.479 148 1HD2 ASN 23 1HD2 ASN 23 54.214 0.855 4.931 149 2HD2 ASN 23 2HD2 ASN 23 55.242 -0.345 4.229 150 H ASN 24 H ASN 24 48.728 -2.129 3.534 151 HA ASN 24 HA ASN 24 49.457 -3.803 5.827 152 1HB ASN 24 1HB ASN 24 46.781 -4.222 5.618 153 2HB ASN 24 2HB ASN 24 47.544 -3.153 6.766 154 1HD2 ASN 24 1HD2 ASN 24 48.086 -0.918 5.573 155 2HD2 ASN 24 2HD2 ASN 24 46.708 -0.216 4.792 156 H HIS 25 H HIS 25 47.978 -5.813 5.781 157 HA HIS 25 HA HIS 25 48.844 -7.297 3.470 158 1HB HIS 25 1HB HIS 25 49.133 -8.202 5.692 159 2HB HIS 25 2HB HIS 25 47.407 -8.051 6.014 160 HD1 HIS 25 HD1 HIS 25 47.456 -10.673 6.496 161 HD2 HIS 25 HD2 HIS 25 48.271 -9.538 2.589 162 HE1 HIS 25 HE1 HIS 25 47.217 -12.771 5.127 163 HE2 HIS 25 HE2 HIS 25 47.616 -12.039 2.748 164 H ALA 26 H ALA 26 45.921 -5.967 4.797 165 HA ALA 26 HA ALA 26 44.218 -7.454 2.982 166 1HB ALA 26 1HB ALA 26 43.440 -5.327 4.958 167 2HB ALA 26 2HB ALA 26 43.571 -7.045 5.334 168 3HB ALA 26 3HB ALA 26 42.379 -6.486 4.159 169 H CYS 27 H CYS 27 45.927 -4.473 2.884 170 HA CYS 27 HA CYS 27 43.985 -3.387 0.961 171 1HB CYS 27 1HB CYS 27 46.080 -2.169 2.687 172 2HB CYS 27 2HB CYS 27 45.755 -1.400 1.138 173 H GLY 28 H GLY 28 47.212 -4.633 1.297 174 1HA GLY 28 1HA GLY 28 47.948 -5.712 -0.867 175 2HA GLY 28 2HA GLY 28 47.647 -4.137 -1.588 176 H TRP 29 H TRP 29 48.796 -3.679 1.507 177 HA TRP 29 HA TRP 29 50.739 -3.099 2.405 178 1HB TRP 29 1HB TRP 29 51.844 -4.786 0.152 179 2HB TRP 29 2HB TRP 29 52.853 -4.060 1.400 180 HD1 TRP 29 HD1 TRP 29 51.312 -7.243 0.717 181 HE1 TRP 29 HE1 TRP 29 50.937 -8.549 2.912 182 HE3 TRP 29 HE3 TRP 29 51.876 -3.482 4.039 183 HZ2 TRP 29 HZ2 TRP 29 50.900 -8.051 5.626 184 HZ3 TRP 29 HZ3 TRP 29 51.613 -3.923 6.413 185 HH2 TRP 29 HH2 TRP 29 51.146 -6.200 7.218 186 H ASP 30 H ASP 30 49.426 -1.306 0.793 187 HA ASP 30 HA ASP 30 49.630 0.616 -0.408 188 1HB ASP 30 1HB ASP 30 50.742 1.251 1.670 189 2HB ASP 30 2HB ASP 30 52.262 0.622 1.080 190 H GLY 31 H GLY 31 50.708 -1.895 -1.667 191 1HA GLY 31 1HA GLY 31 51.585 -2.397 -3.729 192 2HA GLY 31 2HA GLY 31 51.740 -0.673 -4.018 193 H GLY 32 H GLY 32 53.385 -0.903 -1.275 194 1HA GLY 32 1HA GLY 32 55.580 -1.724 -0.776 195 2HA GLY 32 2HA GLY 32 55.857 -1.907 -2.503 196 H ASP 33 H ASP 33 54.358 0.924 -1.111 197 HA ASP 33 HA ASP 33 56.504 2.560 -2.176 198 1HB ASP 33 1HB ASP 33 54.093 3.656 -0.770 199 2HB ASP 33 2HB ASP 33 55.027 4.346 -2.088 200 H CYS 34 H CYS 34 54.912 1.891 0.925 201 HA CYS 34 HA CYS 34 56.654 3.685 2.350 202 1HB CYS 34 1HB CYS 34 54.413 1.893 3.024 203 2HB CYS 34 2HB CYS 34 55.642 2.007 4.271 204 H SER 35 H SER 35 56.151 0.163 2.540 205 HA SER 35 HA SER 35 58.848 -0.550 2.243 206 1HB SER 35 1HB SER 35 58.856 0.648 4.528 207 2HB SER 35 2HB SER 35 58.004 -0.775 5.126 208 HG SER 35 HG SER 35 59.830 -1.977 4.129 Start of MODEL 7 1 1H GLU 1 1H GLU 1 37.960 -9.493 7.978 2 2H GLU 1 2H GLU 1 37.405 -8.342 6.833 3 3H GLU 1 3H GLU 1 36.626 -8.486 8.355 4 HA GLU 1 HA GLU 1 37.905 -6.628 8.571 5 1HB GLU 1 1HB GLU 1 38.472 -8.987 9.992 6 2HB GLU 1 2HB GLU 1 40.035 -8.247 9.674 7 1HG GLU 1 1HG GLU 1 39.710 -6.803 11.311 8 2HG GLU 1 2HG GLU 1 38.243 -6.215 10.530 9 H GLU 2 H GLU 2 39.613 -9.170 6.855 10 HA GLU 2 HA GLU 2 41.761 -7.335 6.123 11 1HB GLU 2 1HB GLU 2 42.371 -9.609 6.809 12 2HB GLU 2 2HB GLU 2 41.390 -10.272 5.510 13 1HG GLU 2 1HG GLU 2 43.015 -8.611 4.125 14 2HG GLU 2 2HG GLU 2 44.078 -9.101 5.444 15 H ALA 3 H ALA 3 40.023 -6.068 4.950 16 HA ALA 3 HA ALA 3 40.020 -6.909 2.154 17 1HB ALA 3 1HB ALA 3 37.518 -5.668 3.158 18 2HB ALA 3 2HB ALA 3 37.791 -7.377 3.501 19 3HB ALA 3 3HB ALA 3 37.763 -6.805 1.832 20 H CYS 4 H CYS 4 41.269 -4.828 4.014 21 HA CYS 4 HA CYS 4 42.015 -2.689 3.810 22 1HB CYS 4 1HB CYS 4 42.377 -3.580 1.480 23 2HB CYS 4 2HB CYS 4 40.867 -2.814 1.027 24 H GLU 5 H GLU 5 41.254 -0.684 4.347 25 HA GLU 5 HA GLU 5 38.386 -0.201 3.940 26 1HB GLU 5 1HB GLU 5 38.326 0.955 6.086 27 2HB GLU 5 2HB GLU 5 38.887 -0.698 6.294 28 1HG GLU 5 1HG GLU 5 41.251 0.383 6.106 29 2HG GLU 5 2HG GLU 5 40.392 1.859 6.545 30 H LEU 6 H LEU 6 41.022 0.640 2.573 31 HA LEU 6 HA LEU 6 40.401 3.517 2.525 32 1HB LEU 6 1HB LEU 6 42.994 2.084 2.667 33 2HB LEU 6 2HB LEU 6 42.922 3.536 1.685 34 HG LEU 6 HG LEU 6 41.758 4.422 3.975 35 1HD1 LEU 6 1HD1 LEU 6 43.815 2.367 4.764 36 2HD1 LEU 6 2HD1 LEU 6 42.107 2.389 5.202 37 3HD1 LEU 6 3HD1 LEU 6 43.195 3.626 5.832 38 1HD2 LEU 6 1HD2 LEU 6 43.378 5.788 3.120 39 2HD2 LEU 6 2HD2 LEU 6 44.531 4.472 2.899 40 3HD2 LEU 6 3HD2 LEU 6 44.241 5.131 4.510 41 HA PRO 7 HA PRO 7 39.469 2.299 -1.702 42 1HB PRO 7 1HB PRO 7 38.488 5.061 -1.872 43 2HB PRO 7 2HB PRO 7 37.609 3.549 -2.111 44 1HG PRO 7 1HG PRO 7 37.200 5.129 0.039 45 2HG PRO 7 2HG PRO 7 37.052 3.364 0.114 46 1HD PRO 7 1HD PRO 7 39.301 5.118 1.025 47 2HD PRO 7 2HD PRO 7 38.619 3.665 1.792 48 H GLU 8 H GLU 8 41.524 4.600 -0.312 49 HA GLU 8 HA GLU 8 42.402 5.820 -2.779 50 1HB GLU 8 1HB GLU 8 44.025 6.987 -1.413 51 2HB GLU 8 2HB GLU 8 42.445 7.054 -0.644 52 1HG GLU 8 1HG GLU 8 43.078 5.374 0.940 53 2HG GLU 8 2HG GLU 8 44.603 5.096 0.102 54 H CYS 9 H CYS 9 43.602 3.316 -0.573 55 HA CYS 9 HA CYS 9 46.138 2.952 -1.583 56 1HB CYS 9 1HB CYS 9 44.306 0.715 -0.710 57 2HB CYS 9 2HB CYS 9 46.069 0.737 -0.668 58 H GLN 10 H GLN 10 43.122 2.216 -3.105 59 HA GLN 10 HA GLN 10 43.935 0.214 -4.886 60 1HB GLN 10 1HB GLN 10 41.995 0.771 -6.186 61 2HB GLN 10 2HB GLN 10 41.577 0.932 -4.486 62 1HG GLN 10 1HG GLN 10 40.660 2.854 -5.220 63 2HG GLN 10 2HG GLN 10 42.300 3.450 -4.968 64 1HE2 GLN 10 1HE2 GLN 10 40.979 4.941 -6.598 65 2HE2 GLN 10 2HE2 GLN 10 41.368 4.653 -8.257 66 H GLU 11 H GLU 11 44.365 3.681 -4.932 67 HA GLU 11 HA GLU 11 45.817 3.435 -7.490 68 1HB GLU 11 1HB GLU 11 43.683 5.022 -7.109 69 2HB GLU 11 2HB GLU 11 44.940 6.110 -6.535 70 1HG GLU 11 1HG GLU 11 45.060 6.717 -8.682 71 2HG GLU 11 2HG GLU 11 46.042 5.261 -8.847 72 H ASP 12 H ASP 12 45.822 4.588 -4.219 73 HA ASP 12 HA ASP 12 48.219 6.058 -4.300 74 1HB ASP 12 1HB ASP 12 46.222 5.183 -2.371 75 2HB ASP 12 2HB ASP 12 47.824 5.237 -1.708 76 H ALA 13 H ALA 13 47.555 2.695 -4.254 77 HA ALA 13 HA ALA 13 50.027 1.931 -2.969 78 1HB ALA 13 1HB ALA 13 48.017 0.257 -4.473 79 2HB ALA 13 2HB ALA 13 48.042 0.528 -2.730 80 3HB ALA 13 3HB ALA 13 49.356 -0.358 -3.504 81 H GLY 14 H GLY 14 51.919 1.395 -3.936 82 1HA GLY 14 1HA GLY 14 53.467 1.039 -5.611 83 2HA GLY 14 2HA GLY 14 52.130 0.634 -6.673 84 H ASN 15 H ASN 15 52.819 3.688 -4.990 85 HA ASN 15 HA ASN 15 52.937 5.014 -7.596 86 1HB ASN 15 1HB ASN 15 52.144 7.025 -6.327 87 2HB ASN 15 2HB ASN 15 50.979 5.708 -6.400 88 1HD2 ASN 15 1HD2 ASN 15 50.219 7.175 -4.579 89 2HD2 ASN 15 2HD2 ASN 15 50.741 6.723 -2.991 90 H LYS 16 H LYS 16 54.973 3.826 -5.554 91 HA LYS 16 HA LYS 16 57.113 4.207 -4.997 92 1HB LYS 16 1HB LYS 16 57.157 6.799 -6.467 93 2HB LYS 16 2HB LYS 16 58.400 5.553 -6.358 94 1HG LYS 16 1HG LYS 16 55.907 5.555 -8.031 95 2HG LYS 16 2HG LYS 16 57.584 5.487 -8.556 96 1HD LYS 16 1HD LYS 16 57.567 3.279 -7.089 97 2HD LYS 16 2HD LYS 16 55.845 3.342 -7.473 98 1HE LYS 16 1HE LYS 16 56.498 2.198 -9.306 99 2HE LYS 16 2HE LYS 16 56.878 3.810 -9.910 100 1HZ LYS 16 1HZ LYS 16 59.074 3.425 -9.804 101 2HZ LYS 16 2HZ LYS 16 58.620 1.796 -9.863 102 3HZ LYS 16 3HZ LYS 16 58.976 2.522 -8.377 103 H VAL 17 H VAL 17 54.698 5.793 -3.755 104 HA VAL 17 HA VAL 17 56.229 7.837 -2.326 105 HB VAL 17 HB VAL 17 53.314 7.361 -1.825 106 1HG1 VAL 17 1HG1 VAL 17 54.463 10.059 -2.155 107 2HG1 VAL 17 2HG1 VAL 17 55.060 9.124 -0.784 108 3HG1 VAL 17 3HG1 VAL 17 53.334 9.445 -0.948 109 1HG2 VAL 17 1HG2 VAL 17 54.198 9.138 -4.073 110 2HG2 VAL 17 2HG2 VAL 17 52.589 8.510 -3.719 111 3HG2 VAL 17 3HG2 VAL 17 53.833 7.437 -4.355 112 H CYS 18 H CYS 18 54.162 7.422 -0.055 113 HA CYS 18 HA CYS 18 54.833 4.898 1.078 114 1HB CYS 18 1HB CYS 18 56.925 6.118 1.491 115 2HB CYS 18 2HB CYS 18 56.013 7.390 2.296 116 H SER 19 H SER 19 52.852 4.444 1.689 117 HA SER 19 HA SER 19 51.499 6.266 3.560 118 1HB SER 19 1HB SER 19 50.462 5.029 1.069 119 2HB SER 19 2HB SER 19 49.390 4.960 2.466 120 HG SER 19 HG SER 19 49.756 7.275 2.650 121 H LEU 20 H LEU 20 51.670 5.353 5.425 122 HA LEU 20 HA LEU 20 52.068 2.605 5.914 123 1HB LEU 20 1HB LEU 20 51.157 4.870 7.674 124 2HB LEU 20 2HB LEU 20 51.606 3.281 8.282 125 HG LEU 20 HG LEU 20 53.517 4.856 6.616 126 1HD1 LEU 20 1HD1 LEU 20 53.434 5.108 9.604 127 2HD1 LEU 20 2HD1 LEU 20 52.583 6.241 8.552 128 3HD1 LEU 20 3HD1 LEU 20 54.335 6.075 8.436 129 1HD2 LEU 20 1HD2 LEU 20 55.016 3.618 8.422 130 2HD2 LEU 20 2HD2 LEU 20 54.460 2.812 6.955 131 3HD2 LEU 20 3HD2 LEU 20 53.614 2.551 8.480 132 H GLN 21 H GLN 21 49.260 4.670 5.879 133 HA GLN 21 HA GLN 21 47.442 2.814 7.013 134 1HB GLN 21 1HB GLN 21 45.918 4.446 5.321 135 2HB GLN 21 2HB GLN 21 46.166 4.638 7.045 136 1HG GLN 21 1HG GLN 21 46.619 6.713 5.973 137 2HG GLN 21 2HG GLN 21 48.143 6.049 6.557 138 1HE2 GLN 21 1HE2 GLN 21 46.232 5.367 3.647 139 2HE2 GLN 21 2HE2 GLN 21 47.494 5.750 2.521 140 H CYS 22 H CYS 22 49.065 2.686 4.092 141 HA CYS 22 HA CYS 22 46.962 0.989 2.922 142 1HB CYS 22 1HB CYS 22 49.005 2.787 1.629 143 2HB CYS 22 2HB CYS 22 48.239 1.480 0.736 144 H ASN 23 H ASN 23 50.139 1.208 4.153 145 HA ASN 23 HA ASN 23 51.289 -0.986 2.802 146 1HB ASN 23 1HB ASN 23 52.296 1.104 4.001 147 2HB ASN 23 2HB ASN 23 52.189 0.085 5.430 148 1HD2 ASN 23 1HD2 ASN 23 54.505 0.956 4.775 149 2HD2 ASN 23 2HD2 ASN 23 55.501 -0.282 4.091 150 H ASN 24 H ASN 24 48.967 -2.040 3.623 151 HA ASN 24 HA ASN 24 49.739 -3.645 5.951 152 1HB ASN 24 1HB ASN 24 47.056 -4.059 5.809 153 2HB ASN 24 2HB ASN 24 47.850 -2.965 6.911 154 1HD2 ASN 24 1HD2 ASN 24 48.387 -0.773 5.641 155 2HD2 ASN 24 2HD2 ASN 24 46.998 -0.078 4.873 156 H HIS 25 H HIS 25 48.267 -5.653 6.008 157 HA HIS 25 HA HIS 25 49.075 -7.214 3.728 158 1HB HIS 25 1HB HIS 25 49.422 -8.043 5.971 159 2HB HIS 25 2HB HIS 25 47.706 -7.883 6.333 160 HD1 HIS 25 HD1 HIS 25 47.777 -10.488 6.902 161 HD2 HIS 25 HD2 HIS 25 48.479 -9.484 2.937 162 HE1 HIS 25 HE1 HIS 25 47.507 -12.632 5.612 163 HE2 HIS 25 HE2 HIS 25 47.843 -11.981 3.200 164 H ALA 26 H ALA 26 46.181 -5.842 5.078 165 HA ALA 26 HA ALA 26 44.445 -7.403 3.359 166 1HB ALA 26 1HB ALA 26 42.624 -6.190 4.499 167 2HB ALA 26 2HB ALA 26 43.836 -5.291 5.412 168 3HB ALA 26 3HB ALA 26 43.702 -7.040 5.606 169 H CYS 27 H CYS 27 46.101 -4.380 3.146 170 HA CYS 27 HA CYS 27 44.116 -3.410 1.209 171 1HB CYS 27 1HB CYS 27 46.222 -2.083 2.839 172 2HB CYS 27 2HB CYS 27 45.830 -1.378 1.276 173 H GLY 28 H GLY 28 47.350 -4.629 1.514 174 1HA GLY 28 1HA GLY 28 48.045 -5.758 -0.634 175 2HA GLY 28 2HA GLY 28 47.723 -4.205 -1.390 176 H TRP 29 H TRP 29 48.950 -3.646 1.659 177 HA TRP 29 HA TRP 29 50.917 -3.039 2.482 178 1HB TRP 29 1HB TRP 29 51.965 -4.796 0.254 179 2HB TRP 29 2HB TRP 29 53.004 -4.030 1.451 180 HD1 TRP 29 HD1 TRP 29 51.451 -7.235 0.905 181 HE1 TRP 29 HE1 TRP 29 51.145 -8.477 3.145 182 HE3 TRP 29 HE3 TRP 29 52.107 -3.379 4.099 183 HZ2 TRP 29 HZ2 TRP 29 51.187 -7.902 5.846 184 HZ3 TRP 29 HZ3 TRP 29 51.913 -3.752 6.491 185 HH2 TRP 29 HH2 TRP 29 51.476 -6.005 7.374 186 H ASP 30 H ASP 30 49.537 -1.328 0.832 187 HA ASP 30 HA ASP 30 49.687 0.538 -0.457 188 1HB ASP 30 1HB ASP 30 50.842 1.220 1.610 189 2HB ASP 30 2HB ASP 30 52.367 0.692 0.933 190 H GLY 31 H GLY 31 50.704 -1.965 -1.665 191 1HA GLY 31 1HA GLY 31 51.585 -2.580 -3.687 192 2HA GLY 31 2HA GLY 31 51.678 -0.873 -4.080 193 H GLY 32 H GLY 32 53.409 -1.168 -1.295 194 1HA GLY 32 1HA GLY 32 55.650 -1.820 -0.882 195 2HA GLY 32 2HA GLY 32 55.871 -2.054 -2.613 196 H ASP 33 H ASP 33 54.326 0.742 -1.237 197 HA ASP 33 HA ASP 33 56.285 2.468 -2.481 198 1HB ASP 33 1HB ASP 33 53.777 3.144 -0.940 199 2HB ASP 33 2HB ASP 33 54.721 4.242 -1.931 200 H CYS 34 H CYS 34 54.953 1.870 0.755 201 HA CYS 34 HA CYS 34 56.803 3.701 1.989 202 1HB CYS 34 1HB CYS 34 54.600 1.957 2.883 203 2HB CYS 34 2HB CYS 34 55.915 2.101 4.036 204 H SER 35 H SER 35 56.289 0.189 2.320 205 HA SER 35 HA SER 35 57.711 -1.545 2.708 206 1HB SER 35 1HB SER 35 59.339 0.348 1.101 207 2HB SER 35 2HB SER 35 60.218 -0.926 1.946 208 HG SER 35 HG SER 35 59.648 -2.082 0.284 Start of MODEL 8 1 1H GLU 1 1H GLU 1 38.975 -4.940 8.212 2 2H GLU 1 2H GLU 1 40.131 -5.873 9.071 3 3H GLU 1 3H GLU 1 38.480 -5.909 9.536 4 HA GLU 1 HA GLU 1 38.762 -7.853 8.410 5 1HB GLU 1 1HB GLU 1 37.821 -5.811 6.385 6 2HB GLU 1 2HB GLU 1 37.446 -7.527 6.371 7 1HG GLU 1 1HG GLU 1 36.075 -7.352 8.271 8 2HG GLU 1 2HG GLU 1 36.691 -5.748 8.663 9 H GLU 2 H GLU 2 39.451 -9.002 6.422 10 HA GLU 2 HA GLU 2 42.094 -8.056 5.611 11 1HB GLU 2 1HB GLU 2 41.284 -10.504 6.443 12 2HB GLU 2 2HB GLU 2 41.148 -10.704 4.701 13 1HG GLU 2 1HG GLU 2 43.416 -10.406 4.356 14 2HG GLU 2 2HG GLU 2 43.643 -9.582 5.898 15 H ALA 3 H ALA 3 40.082 -6.601 4.458 16 HA ALA 3 HA ALA 3 40.392 -7.330 1.647 17 1HB ALA 3 1HB ALA 3 38.173 -7.335 1.115 18 2HB ALA 3 2HB ALA 3 37.741 -6.264 2.448 19 3HB ALA 3 3HB ALA 3 38.077 -7.968 2.759 20 H CYS 4 H CYS 4 41.371 -5.272 3.668 21 HA CYS 4 HA CYS 4 42.013 -3.091 3.608 22 1HB CYS 4 1HB CYS 4 42.581 -3.852 1.277 23 2HB CYS 4 2HB CYS 4 41.066 -3.150 0.749 24 H GLU 5 H GLU 5 41.106 -1.174 4.202 25 HA GLU 5 HA GLU 5 38.257 -0.800 3.596 26 1HB GLU 5 1HB GLU 5 37.960 0.204 5.787 27 2HB GLU 5 2HB GLU 5 38.631 -1.411 5.960 28 1HG GLU 5 1HG GLU 5 40.899 0.034 5.902 29 2HG GLU 5 2HG GLU 5 39.796 1.209 6.618 30 H LEU 6 H LEU 6 40.931 0.224 2.470 31 HA LEU 6 HA LEU 6 40.229 3.083 2.577 32 1HB LEU 6 1HB LEU 6 42.850 1.687 2.662 33 2HB LEU 6 2HB LEU 6 42.763 3.225 1.823 34 HG LEU 6 HG LEU 6 41.728 4.148 3.980 35 1HD1 LEU 6 1HD1 LEU 6 41.169 2.146 5.126 36 2HD1 LEU 6 2HD1 LEU 6 42.495 2.896 6.016 37 3HD1 LEU 6 3HD1 LEU 6 42.809 1.517 4.962 38 1HD2 LEU 6 1HD2 LEU 6 44.093 4.464 3.097 39 2HD2 LEU 6 2HD2 LEU 6 44.572 3.220 4.252 40 3HD2 LEU 6 3HD2 LEU 6 43.845 4.721 4.824 41 HA PRO 7 HA PRO 7 39.444 2.152 -1.754 42 1HB PRO 7 1HB PRO 7 38.422 4.906 -1.757 43 2HB PRO 7 2HB PRO 7 37.577 3.402 -2.132 44 1HG PRO 7 1HG PRO 7 37.074 4.818 0.110 45 2HG PRO 7 2HG PRO 7 36.953 3.050 0.053 46 1HD PRO 7 1HD PRO 7 39.142 4.767 1.161 47 2HD PRO 7 2HD PRO 7 38.462 3.252 1.800 48 H GLU 8 H GLU 8 41.382 4.415 -0.129 49 HA GLU 8 HA GLU 8 42.337 5.817 -2.463 50 1HB GLU 8 1HB GLU 8 44.004 6.773 -0.889 51 2HB GLU 8 2HB GLU 8 42.341 6.983 -0.358 52 1HG GLU 8 1HG GLU 8 42.560 5.239 1.255 53 2HG GLU 8 2HG GLU 8 44.142 4.784 0.624 54 H CYS 9 H CYS 9 43.508 3.173 -0.405 55 HA CYS 9 HA CYS 9 46.074 2.927 -1.404 56 1HB CYS 9 1HB CYS 9 44.284 0.620 -0.629 57 2HB CYS 9 2HB CYS 9 46.048 0.671 -0.585 58 H GLN 10 H GLN 10 43.074 2.199 -2.954 59 HA GLN 10 HA GLN 10 43.946 0.299 -4.826 60 1HB GLN 10 1HB GLN 10 41.634 2.085 -4.505 61 2HB GLN 10 2HB GLN 10 42.013 1.696 -6.178 62 1HG GLN 10 1HG GLN 10 41.948 -0.555 -4.262 63 2HG GLN 10 2HG GLN 10 40.409 0.205 -4.666 64 1HE2 GLN 10 1HE2 GLN 10 40.573 0.803 -7.239 65 2HE2 GLN 10 2HE2 GLN 10 40.837 -0.604 -8.205 66 H GLU 11 H GLU 11 44.275 3.775 -4.698 67 HA GLU 11 HA GLU 11 45.653 3.705 -7.307 68 1HB GLU 11 1HB GLU 11 43.864 5.730 -6.049 69 2HB GLU 11 2HB GLU 11 45.194 6.318 -7.038 70 1HG GLU 11 1HG GLU 11 43.958 4.254 -8.496 71 2HG GLU 11 2HG GLU 11 42.667 5.262 -7.845 72 H ASP 12 H ASP 12 45.734 4.686 -3.982 73 HA ASP 12 HA ASP 12 48.092 6.218 -4.064 74 1HB ASP 12 1HB ASP 12 46.171 5.209 -2.122 75 2HB ASP 12 2HB ASP 12 47.790 5.273 -1.502 76 H ALA 13 H ALA 13 47.427 2.803 -3.795 77 HA ALA 13 HA ALA 13 49.971 2.059 -2.737 78 1HB ALA 13 1HB ALA 13 49.329 -0.230 -3.386 79 2HB ALA 13 2HB ALA 13 47.919 0.421 -4.223 80 3HB ALA 13 3HB ALA 13 48.063 0.591 -2.473 81 H GLY 14 H GLY 14 51.856 2.125 -3.764 82 1HA GLY 14 1HA GLY 14 53.385 1.685 -5.471 83 2HA GLY 14 2HA GLY 14 52.049 1.255 -6.525 84 H ASN 15 H ASN 15 52.600 4.277 -4.751 85 HA ASN 15 HA ASN 15 52.626 5.702 -7.307 86 1HB ASN 15 1HB ASN 15 51.795 7.635 -5.966 87 2HB ASN 15 2HB ASN 15 50.678 6.276 -6.003 88 1HD2 ASN 15 1HD2 ASN 15 49.811 7.422 -4.118 89 2HD2 ASN 15 2HD2 ASN 15 50.492 7.071 -2.565 90 H LYS 16 H LYS 16 54.750 4.480 -5.410 91 HA LYS 16 HA LYS 16 56.897 4.882 -4.910 92 1HB LYS 16 1HB LYS 16 56.807 7.583 -6.168 93 2HB LYS 16 2HB LYS 16 58.096 6.382 -6.193 94 1HG LYS 16 1HG LYS 16 55.556 6.419 -7.790 95 2HG LYS 16 2HG LYS 16 57.217 6.447 -8.363 96 1HD LYS 16 1HD LYS 16 57.308 4.136 -7.060 97 2HD LYS 16 2HD LYS 16 55.578 4.169 -7.411 98 1HE LYS 16 1HE LYS 16 55.888 3.891 -9.635 99 2HE LYS 16 2HE LYS 16 57.372 4.842 -9.656 100 1HZ LYS 16 1HZ LYS 16 57.156 2.074 -8.604 101 2HZ LYS 16 2HZ LYS 16 58.573 2.984 -8.753 102 3HZ LYS 16 3HZ LYS 16 57.745 2.480 -10.138 103 H VAL 17 H VAL 17 54.483 6.247 -3.461 104 HA VAL 17 HA VAL 17 55.993 8.218 -1.908 105 HB VAL 17 HB VAL 17 53.081 7.639 -1.458 106 1HG1 VAL 17 1HG1 VAL 17 54.197 10.373 -1.446 107 2HG1 VAL 17 2HG1 VAL 17 54.787 9.289 -0.186 108 3HG1 VAL 17 3HG1 VAL 17 53.059 9.606 -0.338 109 1HG2 VAL 17 1HG2 VAL 17 53.641 8.027 -3.951 110 2HG2 VAL 17 2HG2 VAL 17 53.970 9.687 -3.460 111 3HG2 VAL 17 3HG2 VAL 17 52.367 8.996 -3.212 112 H CYS 18 H CYS 18 53.926 7.551 0.322 113 HA CYS 18 HA CYS 18 54.691 4.989 1.288 114 1HB CYS 18 1HB CYS 18 56.748 6.211 1.788 115 2HB CYS 18 2HB CYS 18 55.814 7.453 2.610 116 H SER 19 H SER 19 52.726 4.439 1.883 117 HA SER 19 HA SER 19 51.318 6.124 3.843 118 1HB SER 19 1HB SER 19 49.283 4.717 2.657 119 2HB SER 19 2HB SER 19 49.721 6.375 2.244 120 HG SER 19 HG SER 19 50.826 5.656 0.495 121 H LEU 20 H LEU 20 51.527 5.150 5.669 122 HA LEU 20 HA LEU 20 52.028 2.403 6.057 123 1HB LEU 20 1HB LEU 20 51.037 4.566 7.900 124 2HB LEU 20 2HB LEU 20 51.543 2.973 8.449 125 HG LEU 20 HG LEU 20 53.397 4.670 6.841 126 1HD1 LEU 20 1HD1 LEU 20 54.246 5.741 8.810 127 2HD1 LEU 20 2HD1 LEU 20 53.121 4.848 9.836 128 3HD1 LEU 20 3HD1 LEU 20 52.514 6.060 8.706 129 1HD2 LEU 20 1HD2 LEU 20 55.019 3.252 7.552 130 2HD2 LEU 20 2HD2 LEU 20 53.646 2.154 7.694 131 3HD2 LEU 20 3HD2 LEU 20 54.257 2.991 9.121 132 H GLN 21 H GLN 21 49.148 4.367 6.109 133 HA GLN 21 HA GLN 21 47.400 2.399 7.162 134 1HB GLN 21 1HB GLN 21 45.810 4.056 5.562 135 2HB GLN 21 2HB GLN 21 46.072 4.183 7.291 136 1HG GLN 21 1HG GLN 21 46.444 6.314 6.297 137 2HG GLN 21 2HG GLN 21 47.993 5.680 6.845 138 1HE2 GLN 21 1HE2 GLN 21 46.077 5.071 3.922 139 2HE2 GLN 21 2HE2 GLN 21 47.321 5.531 2.805 140 H CYS 22 H CYS 22 49.012 2.472 4.235 141 HA CYS 22 HA CYS 22 46.967 0.762 2.985 142 1HB CYS 22 1HB CYS 22 48.951 2.678 1.771 143 2HB CYS 22 2HB CYS 22 48.201 1.401 0.822 144 H ASN 23 H ASN 23 50.132 1.019 4.231 145 HA ASN 23 HA ASN 23 51.357 -1.059 2.765 146 1HB ASN 23 1HB ASN 23 52.298 0.994 4.067 147 2HB ASN 23 2HB ASN 23 52.212 -0.092 5.449 148 1HD2 ASN 23 1HD2 ASN 23 54.505 0.865 4.877 149 2HD2 ASN 23 2HD2 ASN 23 55.546 -0.306 4.143 150 H ASN 24 H ASN 24 49.067 -2.227 3.523 151 HA ASN 24 HA ASN 24 49.883 -3.932 5.764 152 1HB ASN 24 1HB ASN 24 47.214 -4.415 5.590 153 2HB ASN 24 2HB ASN 24 47.973 -3.359 6.752 154 1HD2 ASN 24 1HD2 ASN 24 48.448 -1.088 5.611 155 2HD2 ASN 24 2HD2 ASN 24 47.043 -0.392 4.873 156 H HIS 25 H HIS 25 48.472 -5.981 5.709 157 HA HIS 25 HA HIS 25 49.328 -7.398 3.353 158 1HB HIS 25 1HB HIS 25 49.695 -8.330 5.555 159 2HB HIS 25 2HB HIS 25 47.973 -8.244 5.913 160 HD1 HIS 25 HD1 HIS 25 48.140 -10.873 6.347 161 HD2 HIS 25 HD2 HIS 25 48.799 -9.636 2.441 162 HE1 HIS 25 HE1 HIS 25 47.940 -12.953 4.945 163 HE2 HIS 25 HE2 HIS 25 48.248 -12.164 2.570 164 H ALA 26 H ALA 26 46.396 -6.176 4.760 165 HA ALA 26 HA ALA 26 44.705 -7.702 2.968 166 1HB ALA 26 1HB ALA 26 42.854 -6.556 4.156 167 2HB ALA 26 2HB ALA 26 44.062 -5.723 5.135 168 3HB ALA 26 3HB ALA 26 43.928 -7.480 5.207 169 H CYS 27 H CYS 27 46.269 -4.620 2.911 170 HA CYS 27 HA CYS 27 44.264 -3.625 1.008 171 1HB CYS 27 1HB CYS 27 46.325 -2.310 2.709 172 2HB CYS 27 2HB CYS 27 45.901 -1.541 1.182 173 H GLY 28 H GLY 28 47.535 -4.757 1.274 174 1HA GLY 28 1HA GLY 28 48.272 -5.760 -0.921 175 2HA GLY 28 2HA GLY 28 47.907 -4.182 -1.605 176 H TRP 29 H TRP 29 49.105 -3.729 1.474 177 HA TRP 29 HA TRP 29 51.050 -3.106 2.335 178 1HB TRP 29 1HB TRP 29 52.160 -4.716 0.026 179 2HB TRP 29 2HB TRP 29 53.169 -3.982 1.268 180 HD1 TRP 29 HD1 TRP 29 51.714 -7.199 0.545 181 HE1 TRP 29 HE1 TRP 29 51.437 -8.567 2.715 182 HE3 TRP 29 HE3 TRP 29 52.243 -3.500 3.942 183 HZ2 TRP 29 HZ2 TRP 29 51.454 -8.134 5.442 184 HZ3 TRP 29 HZ3 TRP 29 52.052 -4.006 6.310 185 HH2 TRP 29 HH2 TRP 29 51.681 -6.314 7.071 186 H ASP 30 H ASP 30 49.622 -1.363 0.759 187 HA ASP 30 HA ASP 30 49.717 0.557 -0.462 188 1HB ASP 30 1HB ASP 30 50.814 1.172 1.670 189 2HB ASP 30 2HB ASP 30 52.368 0.773 0.974 190 H GLY 31 H GLY 31 50.825 -1.829 -1.771 191 1HA GLY 31 1HA GLY 31 51.794 -2.335 -3.782 192 2HA GLY 31 2HA GLY 31 51.799 -0.613 -4.114 193 H GLY 32 H GLY 32 53.500 -1.150 -1.275 194 1HA GLY 32 1HA GLY 32 55.766 -1.610 -0.861 195 2HA GLY 32 2HA GLY 32 56.024 -1.772 -2.595 196 H ASP 33 H ASP 33 54.331 0.882 -1.127 197 HA ASP 33 HA ASP 33 56.194 2.764 -2.297 198 1HB ASP 33 1HB ASP 33 53.497 2.928 -1.018 199 2HB ASP 33 2HB ASP 33 54.461 4.382 -1.203 200 H CYS 34 H CYS 34 54.906 1.975 0.914 201 HA CYS 34 HA CYS 34 56.680 3.830 2.218 202 1HB CYS 34 1HB CYS 34 54.540 1.974 3.038 203 2HB CYS 34 2HB CYS 34 55.846 2.120 4.202 204 H SER 35 H SER 35 56.297 0.293 2.390 205 HA SER 35 HA SER 35 59.006 -0.315 1.947 206 1HB SER 35 1HB SER 35 59.512 0.663 4.071 207 2HB SER 35 2HB SER 35 58.159 -0.163 4.844 208 HG SER 35 HG SER 35 60.344 -1.092 5.131 Start of MODEL 9 1 1H GLU 1 1H GLU 1 40.353 -7.873 9.821 2 2H GLU 1 2H GLU 1 39.624 -9.215 9.037 3 3H GLU 1 3H GLU 1 38.700 -8.232 10.098 4 HA GLU 1 HA GLU 1 38.162 -7.737 7.860 5 1HB GLU 1 1HB GLU 1 38.639 -5.316 7.960 6 2HB GLU 1 2HB GLU 1 38.110 -5.950 9.512 7 1HG GLU 1 1HG GLU 1 40.980 -6.054 9.278 8 2HG GLU 1 2HG GLU 1 40.374 -4.422 8.994 9 H GLU 2 H GLU 2 39.442 -9.139 6.476 10 HA GLU 2 HA GLU 2 41.935 -7.965 5.484 11 1HB GLU 2 1HB GLU 2 42.164 -10.154 4.271 12 2HB GLU 2 2HB GLU 2 42.163 -10.279 6.025 13 1HG GLU 2 1HG GLU 2 39.494 -10.517 4.952 14 2HG GLU 2 2HG GLU 2 40.587 -11.702 4.240 15 H ALA 3 H ALA 3 40.072 -6.342 4.691 16 HA ALA 3 HA ALA 3 39.762 -6.926 1.849 17 1HB ALA 3 1HB ALA 3 37.466 -6.210 1.791 18 2HB ALA 3 2HB ALA 3 37.498 -5.849 3.518 19 3HB ALA 3 3HB ALA 3 37.627 -7.519 2.963 20 H CYS 4 H CYS 4 41.332 -5.108 3.750 21 HA CYS 4 HA CYS 4 42.221 -3.013 3.648 22 1HB CYS 4 1HB CYS 4 42.317 -3.690 1.234 23 2HB CYS 4 2HB CYS 4 40.802 -2.841 0.990 24 H GLU 5 H GLU 5 41.676 -0.909 4.256 25 HA GLU 5 HA GLU 5 38.800 -0.329 4.354 26 1HB GLU 5 1HB GLU 5 39.067 0.690 6.507 27 2HB GLU 5 2HB GLU 5 39.795 -0.910 6.573 28 1HG GLU 5 1HG GLU 5 41.983 0.410 5.976 29 2HG GLU 5 2HG GLU 5 41.084 1.769 6.649 30 H LEU 6 H LEU 6 41.275 0.489 2.641 31 HA LEU 6 HA LEU 6 40.566 3.340 2.593 32 1HB LEU 6 1HB LEU 6 43.260 2.059 2.652 33 2HB LEU 6 2HB LEU 6 43.048 3.563 1.777 34 HG LEU 6 HG LEU 6 43.857 4.131 3.929 35 1HD1 LEU 6 1HD1 LEU 6 42.390 5.767 4.402 36 2HD1 LEU 6 2HD1 LEU 6 41.034 4.651 4.554 37 3HD1 LEU 6 3HD1 LEU 6 41.569 5.175 2.958 38 1HD2 LEU 6 1HD2 LEU 6 42.347 1.851 4.757 39 2HD2 LEU 6 2HD2 LEU 6 41.916 3.243 5.751 40 3HD2 LEU 6 3HD2 LEU 6 43.600 2.736 5.626 41 HA PRO 7 HA PRO 7 39.708 1.945 -1.603 42 1HB PRO 7 1HB PRO 7 38.539 4.626 -1.848 43 2HB PRO 7 2HB PRO 7 37.763 3.052 -2.036 44 1HG PRO 7 1HG PRO 7 37.257 4.671 0.066 45 2HG PRO 7 2HG PRO 7 37.221 2.903 0.193 46 1HD PRO 7 1HD PRO 7 39.355 4.822 1.047 47 2HD PRO 7 2HD PRO 7 38.767 3.350 1.857 48 H GLU 8 H GLU 8 41.531 4.474 -0.264 49 HA GLU 8 HA GLU 8 42.346 5.765 -2.683 50 1HB GLU 8 1HB GLU 8 44.148 6.729 -1.223 51 2HB GLU 8 2HB GLU 8 42.508 7.014 -0.660 52 1HG GLU 8 1HG GLU 8 42.712 5.381 1.041 53 2HG GLU 8 2HG GLU 8 44.222 4.771 0.367 54 H CYS 9 H CYS 9 43.671 3.165 -0.680 55 HA CYS 9 HA CYS 9 46.189 2.907 -1.743 56 1HB CYS 9 1HB CYS 9 44.436 0.526 -1.148 57 2HB CYS 9 2HB CYS 9 46.187 0.656 -0.998 58 H GLN 10 H GLN 10 43.153 2.176 -3.264 59 HA GLN 10 HA GLN 10 43.944 0.396 -5.244 60 1HB GLN 10 1HB GLN 10 41.604 1.480 -4.629 61 2HB GLN 10 2HB GLN 10 42.024 2.569 -5.943 62 1HG GLN 10 1HG GLN 10 42.417 0.488 -7.342 63 2HG GLN 10 2HG GLN 10 41.613 -0.399 -6.047 64 1HE2 GLN 10 1HE2 GLN 10 41.123 0.926 -8.960 65 2HE2 GLN 10 2HE2 GLN 10 39.439 1.297 -8.856 66 H GLU 11 H GLU 11 44.364 3.874 -5.030 67 HA GLU 11 HA GLU 11 45.836 3.804 -7.586 68 1HB GLU 11 1HB GLU 11 44.008 5.826 -6.395 69 2HB GLU 11 2HB GLU 11 45.398 6.429 -7.287 70 1HG GLU 11 1HG GLU 11 44.408 4.520 -8.975 71 2HG GLU 11 2HG GLU 11 42.945 5.184 -8.249 72 H ASP 12 H ASP 12 45.822 4.713 -4.244 73 HA ASP 12 HA ASP 12 48.202 6.227 -4.239 74 1HB ASP 12 1HB ASP 12 46.190 5.260 -2.374 75 2HB ASP 12 2HB ASP 12 47.785 5.287 -1.690 76 H ALA 13 H ALA 13 47.466 2.816 -3.929 77 HA ALA 13 HA ALA 13 49.984 2.067 -2.812 78 1HB ALA 13 1HB ALA 13 49.322 -0.217 -3.305 79 2HB ALA 13 2HB ALA 13 48.002 0.365 -4.319 80 3HB ALA 13 3HB ALA 13 47.979 0.666 -2.582 81 H GLY 14 H GLY 14 51.890 2.014 -3.805 82 1HA GLY 14 1HA GLY 14 53.430 1.513 -5.478 83 2HA GLY 14 2HA GLY 14 52.100 1.082 -6.540 84 H ASN 15 H ASN 15 52.697 4.143 -4.847 85 HA ASN 15 HA ASN 15 52.810 5.488 -7.444 86 1HB ASN 15 1HB ASN 15 51.971 7.474 -6.193 87 2HB ASN 15 2HB ASN 15 50.835 6.130 -6.209 88 1HD2 ASN 15 1HD2 ASN 15 49.954 7.384 -4.390 89 2HD2 ASN 15 2HD2 ASN 15 50.586 7.071 -2.809 90 H LYS 16 H LYS 16 54.864 4.286 -5.469 91 HA LYS 16 HA LYS 16 57.001 4.669 -4.918 92 1HB LYS 16 1HB LYS 16 56.992 7.338 -6.246 93 2HB LYS 16 2HB LYS 16 58.261 6.115 -6.204 94 1HG LYS 16 1HG LYS 16 55.767 6.154 -7.874 95 2HG LYS 16 2HG LYS 16 57.445 6.136 -8.398 96 1HD LYS 16 1HD LYS 16 57.349 3.858 -6.938 97 2HD LYS 16 2HD LYS 16 55.703 3.923 -7.573 98 1HE LYS 16 1HE LYS 16 56.636 2.874 -9.340 99 2HE LYS 16 2HE LYS 16 57.090 4.513 -9.803 100 1HZ LYS 16 1HZ LYS 16 59.166 3.963 -8.336 101 2HZ LYS 16 2HZ LYS 16 59.090 3.456 -9.948 102 3HZ LYS 16 3HZ LYS 16 58.752 2.364 -8.702 103 H VAL 17 H VAL 17 54.575 6.105 -3.565 104 HA VAL 17 HA VAL 17 56.077 8.093 -2.026 105 HB VAL 17 HB VAL 17 53.145 7.572 -1.639 106 1HG1 VAL 17 1HG1 VAL 17 54.311 10.285 -1.650 107 2HG1 VAL 17 2HG1 VAL 17 54.844 9.216 -0.353 108 3HG1 VAL 17 3HG1 VAL 17 53.127 9.562 -0.561 109 1HG2 VAL 17 1HG2 VAL 17 52.504 8.905 -3.439 110 2HG2 VAL 17 2HG2 VAL 17 53.777 7.896 -4.122 111 3HG2 VAL 17 3HG2 VAL 17 54.126 9.560 -3.658 112 H CYS 18 H CYS 18 53.930 7.502 0.158 113 HA CYS 18 HA CYS 18 54.658 4.962 1.216 114 1HB CYS 18 1HB CYS 18 56.691 6.207 1.757 115 2HB CYS 18 2HB CYS 18 55.723 7.464 2.516 116 H SER 19 H SER 19 52.677 4.419 1.758 117 HA SER 19 HA SER 19 51.175 6.164 3.591 118 1HB SER 19 1HB SER 19 50.297 4.848 1.079 119 2HB SER 19 2HB SER 19 49.182 4.733 2.441 120 HG SER 19 HG SER 19 50.333 7.187 1.636 121 H LEU 20 H LEU 20 51.326 5.284 5.469 122 HA LEU 20 HA LEU 20 51.844 2.558 5.998 123 1HB LEU 20 1HB LEU 20 50.803 4.800 7.714 124 2HB LEU 20 2HB LEU 20 51.311 3.239 8.347 125 HG LEU 20 HG LEU 20 53.186 4.858 6.689 126 1HD1 LEU 20 1HD1 LEU 20 52.229 5.499 9.410 127 2HD1 LEU 20 2HD1 LEU 20 52.878 6.555 8.155 128 3HD1 LEU 20 3HD1 LEU 20 53.970 5.583 9.141 129 1HD2 LEU 20 1HD2 LEU 20 54.273 2.925 7.118 130 2HD2 LEU 20 2HD2 LEU 20 53.313 2.578 8.556 131 3HD2 LEU 20 3HD2 LEU 20 54.647 3.729 8.643 132 H GLN 21 H GLN 21 48.951 4.506 5.881 133 HA GLN 21 HA GLN 21 47.202 2.556 6.983 134 1HB GLN 21 1HB GLN 21 45.587 4.124 5.355 135 2HB GLN 21 2HB GLN 21 45.898 4.363 7.064 136 1HG GLN 21 1HG GLN 21 46.210 6.428 5.905 137 2HG GLN 21 2HG GLN 21 47.772 5.856 6.485 138 1HE2 GLN 21 1HE2 GLN 21 45.842 5.010 3.631 139 2HE2 GLN 21 2HE2 GLN 21 47.069 5.406 2.473 140 H CYS 22 H CYS 22 48.876 2.528 4.103 141 HA CYS 22 HA CYS 22 46.857 0.779 2.864 142 1HB CYS 22 1HB CYS 22 48.835 2.690 1.640 143 2HB CYS 22 2HB CYS 22 48.175 1.348 0.712 144 H ASN 23 H ASN 23 49.986 1.077 4.183 145 HA ASN 23 HA ASN 23 51.251 -1.041 2.805 146 1HB ASN 23 1HB ASN 23 52.158 1.048 4.075 147 2HB ASN 23 2HB ASN 23 52.031 0.004 5.485 148 1HD2 ASN 23 1HD2 ASN 23 54.340 0.952 4.932 149 2HD2 ASN 23 2HD2 ASN 23 55.399 -0.245 4.270 150 H ASN 24 H ASN 24 48.911 -2.158 3.566 151 HA ASN 24 HA ASN 24 49.694 -3.825 5.849 152 1HB ASN 24 1HB ASN 24 47.021 -4.282 5.670 153 2HB ASN 24 2HB ASN 24 47.783 -3.204 6.810 154 1HD2 ASN 24 1HD2 ASN 24 48.280 -0.963 5.615 155 2HD2 ASN 24 2HD2 ASN 24 46.884 -0.278 4.851 156 H HIS 25 H HIS 25 48.241 -5.853 5.823 157 HA HIS 25 HA HIS 25 49.099 -7.334 3.506 158 1HB HIS 25 1HB HIS 25 49.422 -8.226 5.731 159 2HB HIS 25 2HB HIS 25 47.697 -8.100 6.067 160 HD1 HIS 25 HD1 HIS 25 47.803 -10.722 6.556 161 HD2 HIS 25 HD2 HIS 25 48.544 -9.581 2.638 162 HE1 HIS 25 HE1 HIS 25 47.584 -12.827 5.196 163 HE2 HIS 25 HE2 HIS 25 48.136 -12.131 2.837 164 H ALA 26 H ALA 26 46.175 -6.031 4.858 165 HA ALA 26 HA ALA 26 44.470 -7.550 3.072 166 1HB ALA 26 1HB ALA 26 42.628 -6.517 4.244 167 2HB ALA 26 2HB ALA 26 43.743 -5.445 5.092 168 3HB ALA 26 3HB ALA 26 43.792 -7.183 5.389 169 H CYS 27 H CYS 27 46.127 -4.533 2.957 170 HA CYS 27 HA CYS 27 44.156 -3.499 1.036 171 1HB CYS 27 1HB CYS 27 46.242 -2.228 2.740 172 2HB CYS 27 2HB CYS 27 45.865 -1.467 1.198 173 H GLY 28 H GLY 28 47.396 -4.709 1.348 174 1HA GLY 28 1HA GLY 28 48.131 -5.771 -0.821 175 2HA GLY 28 2HA GLY 28 47.803 -4.201 -1.540 176 H TRP 29 H TRP 29 48.981 -3.712 1.537 177 HA TRP 29 HA TRP 29 50.927 -3.106 2.408 178 1HB TRP 29 1HB TRP 29 52.030 -4.793 0.154 179 2HB TRP 29 2HB TRP 29 53.041 -4.048 1.389 180 HD1 TRP 29 HD1 TRP 29 51.534 -7.252 0.730 181 HE1 TRP 29 HE1 TRP 29 51.199 -8.558 2.931 182 HE3 TRP 29 HE3 TRP 29 52.082 -3.476 4.038 183 HZ2 TRP 29 HZ2 TRP 29 51.184 -8.055 5.645 184 HZ3 TRP 29 HZ3 TRP 29 51.850 -3.914 6.416 185 HH2 TRP 29 HH2 TRP 29 51.422 -6.196 7.229 186 H ASP 30 H ASP 30 49.554 -1.375 0.763 187 HA ASP 30 HA ASP 30 49.705 0.513 -0.500 188 1HB ASP 30 1HB ASP 30 50.759 1.161 1.643 189 2HB ASP 30 2HB ASP 30 52.324 0.720 0.994 190 H GLY 31 H GLY 31 50.810 -1.918 -1.731 191 1HA GLY 31 1HA GLY 31 51.824 -2.486 -3.703 192 2HA GLY 31 2HA GLY 31 51.847 -0.772 -4.078 193 H GLY 32 H GLY 32 53.484 -1.239 -1.191 194 1HA GLY 32 1HA GLY 32 55.738 -1.699 -0.716 195 2HA GLY 32 2HA GLY 32 56.032 -1.916 -2.440 196 H ASP 33 H ASP 33 54.337 0.792 -1.066 197 HA ASP 33 HA ASP 33 56.243 2.624 -2.256 198 1HB ASP 33 1HB ASP 33 53.507 2.842 -1.076 199 2HB ASP 33 2HB ASP 33 54.489 4.286 -1.245 200 H CYS 34 H CYS 34 54.866 1.935 0.939 201 HA CYS 34 HA CYS 34 56.601 3.827 2.240 202 1HB CYS 34 1HB CYS 34 54.442 1.991 3.050 203 2HB CYS 34 2HB CYS 34 55.714 2.176 4.247 204 H SER 35 H SER 35 56.218 0.297 2.538 205 HA SER 35 HA SER 35 58.927 -0.335 2.164 206 1HB SER 35 1HB SER 35 59.696 -0.784 4.402 207 2HB SER 35 2HB SER 35 59.125 0.884 4.354 208 HG SER 35 HG SER 35 57.126 0.084 5.237 Start of MODEL 10 1 1H GLU 1 1H GLU 1 39.343 -9.347 9.248 2 2H GLU 1 2H GLU 1 38.265 -10.098 8.143 3 3H GLU 1 3H GLU 1 37.702 -9.589 9.683 4 HA GLU 1 HA GLU 1 37.133 -8.171 7.724 5 1HB GLU 1 1HB GLU 1 37.446 -7.684 10.364 6 2HB GLU 1 2HB GLU 1 38.604 -6.533 9.710 7 1HG GLU 1 1HG GLU 1 36.948 -5.366 8.536 8 2HG GLU 1 2HG GLU 1 35.781 -6.675 8.712 9 H GLU 2 H GLU 2 39.715 -9.369 6.985 10 HA GLU 2 HA GLU 2 41.441 -7.104 6.416 11 1HB GLU 2 1HB GLU 2 41.711 -10.011 5.625 12 2HB GLU 2 2HB GLU 2 42.943 -8.773 5.426 13 1HG GLU 2 1HG GLU 2 43.669 -9.743 7.347 14 2HG GLU 2 2HG GLU 2 42.618 -8.496 8.018 15 H ALA 3 H ALA 3 39.921 -5.949 5.077 16 HA ALA 3 HA ALA 3 40.041 -6.845 2.301 17 1HB ALA 3 1HB ALA 3 37.811 -7.471 3.304 18 2HB ALA 3 2HB ALA 3 37.746 -6.459 1.861 19 3HB ALA 3 3HB ALA 3 37.492 -5.743 3.454 20 H CYS 4 H CYS 4 41.184 -4.711 4.179 21 HA CYS 4 HA CYS 4 41.915 -2.567 3.976 22 1HB CYS 4 1HB CYS 4 42.441 -3.500 1.703 23 2HB CYS 4 2HB CYS 4 40.946 -2.788 1.130 24 H GLU 5 H GLU 5 41.116 -0.552 4.400 25 HA GLU 5 HA GLU 5 38.275 -0.100 3.815 26 1HB GLU 5 1HB GLU 5 38.113 1.153 5.917 27 2HB GLU 5 2HB GLU 5 38.603 -0.511 6.203 28 1HG GLU 5 1HG GLU 5 41.016 0.620 6.039 29 2HG GLU 5 2HG GLU 5 40.090 2.006 6.610 30 H LEU 6 H LEU 6 41.005 0.709 2.605 31 HA LEU 6 HA LEU 6 40.425 3.591 2.474 32 1HB LEU 6 1HB LEU 6 42.980 2.075 2.602 33 2HB LEU 6 2HB LEU 6 42.939 3.543 1.642 34 HG LEU 6 HG LEU 6 41.991 4.662 3.767 35 1HD1 LEU 6 1HD1 LEU 6 41.506 2.622 4.998 36 2HD1 LEU 6 2HD1 LEU 6 42.687 3.608 5.861 37 3HD1 LEU 6 3HD1 LEU 6 43.214 2.182 4.968 38 1HD2 LEU 6 1HD2 LEU 6 44.830 3.723 4.000 39 2HD2 LEU 6 2HD2 LEU 6 44.143 5.289 4.430 40 3HD2 LEU 6 3HD2 LEU 6 44.325 4.841 2.734 41 HA PRO 7 HA PRO 7 39.514 2.344 -1.748 42 1HB PRO 7 1HB PRO 7 38.335 4.703 -2.418 43 2HB PRO 7 2HB PRO 7 37.487 3.421 -1.547 44 1HG PRO 7 1HG PRO 7 38.728 5.926 -0.498 45 2HG PRO 7 2HG PRO 7 37.204 5.148 -0.032 46 1HD PRO 7 1HD PRO 7 39.498 4.930 1.423 47 2HD PRO 7 2HD PRO 7 38.253 3.667 1.386 48 H GLU 8 H GLU 8 41.546 4.642 -0.349 49 HA GLU 8 HA GLU 8 42.454 5.874 -2.799 50 1HB GLU 8 1HB GLU 8 44.177 6.906 -1.333 51 2HB GLU 8 2HB GLU 8 42.530 7.193 -0.788 52 1HG GLU 8 1HG GLU 8 42.743 5.571 0.946 53 2HG GLU 8 2HG GLU 8 44.300 5.029 0.320 54 H CYS 9 H CYS 9 43.617 3.357 -0.579 55 HA CYS 9 HA CYS 9 46.157 2.992 -1.610 56 1HB CYS 9 1HB CYS 9 44.343 0.773 -0.656 57 2HB CYS 9 2HB CYS 9 46.106 0.797 -0.644 58 H GLN 10 H GLN 10 43.112 2.220 -3.049 59 HA GLN 10 HA GLN 10 43.881 0.183 -4.807 60 1HB GLN 10 1HB GLN 10 41.538 0.849 -4.404 61 2HB GLN 10 2HB GLN 10 41.830 2.359 -5.258 62 1HG GLN 10 1HG GLN 10 42.079 1.269 -7.322 63 2HG GLN 10 2HG GLN 10 42.241 -0.312 -6.558 64 1HE2 GLN 10 1HE2 GLN 10 39.997 2.316 -7.203 65 2HE2 GLN 10 2HE2 GLN 10 38.563 1.355 -7.139 66 H GLU 11 H GLU 11 44.342 3.648 -4.929 67 HA GLU 11 HA GLU 11 45.719 3.334 -7.521 68 1HB GLU 11 1HB GLU 11 43.975 5.487 -6.438 69 2HB GLU 11 2HB GLU 11 45.343 5.984 -7.423 70 1HG GLU 11 1HG GLU 11 44.488 5.070 -9.327 71 2HG GLU 11 2HG GLU 11 43.591 3.825 -8.459 72 H ASP 12 H ASP 12 45.831 4.548 -4.275 73 HA ASP 12 HA ASP 12 48.240 5.995 -4.467 74 1HB ASP 12 1HB ASP 12 46.280 5.211 -2.461 75 2HB ASP 12 2HB ASP 12 47.898 5.266 -1.839 76 H ALA 13 H ALA 13 47.455 2.636 -3.929 77 HA ALA 13 HA ALA 13 50.015 1.926 -2.847 78 1HB ALA 13 1HB ALA 13 47.898 0.149 -4.054 79 2HB ALA 13 2HB ALA 13 47.994 0.618 -2.357 80 3HB ALA 13 3HB ALA 13 49.266 -0.373 -3.070 81 H GLY 14 H GLY 14 51.849 1.633 -3.929 82 1HA GLY 14 1HA GLY 14 53.257 0.925 -5.641 83 2HA GLY 14 2HA GLY 14 51.843 0.487 -6.587 84 H ASN 15 H ASN 15 52.654 3.642 -5.188 85 HA ASN 15 HA ASN 15 52.707 4.759 -7.892 86 1HB ASN 15 1HB ASN 15 52.005 6.877 -6.784 87 2HB ASN 15 2HB ASN 15 50.816 5.588 -6.642 88 1HD2 ASN 15 1HD2 ASN 15 50.070 7.044 -4.908 89 2HD2 ASN 15 2HD2 ASN 15 50.751 6.831 -3.330 90 H LYS 16 H LYS 16 54.800 3.640 -5.910 91 HA LYS 16 HA LYS 16 56.973 3.977 -5.482 92 1HB LYS 16 1HB LYS 16 57.005 6.523 -7.034 93 2HB LYS 16 2HB LYS 16 58.226 5.253 -6.944 94 1HG LYS 16 1HG LYS 16 55.656 5.259 -8.495 95 2HG LYS 16 2HG LYS 16 57.303 5.133 -9.094 96 1HD LYS 16 1HD LYS 16 57.208 2.987 -7.454 97 2HD LYS 16 2HD LYS 16 55.530 3.065 -7.997 98 1HE LYS 16 1HE LYS 16 56.653 1.661 -9.533 99 2HE LYS 16 2HE LYS 16 56.435 3.207 -10.352 100 1HZ LYS 16 1HZ LYS 16 58.637 3.603 -10.382 101 2HZ LYS 16 2HZ LYS 16 58.750 1.920 -10.259 102 3HZ LYS 16 3HZ LYS 16 58.919 2.880 -8.878 103 H VAL 17 H VAL 17 54.673 5.613 -4.149 104 HA VAL 17 HA VAL 17 56.314 7.667 -2.858 105 HB VAL 17 HB VAL 17 53.384 7.295 -2.307 106 1HG1 VAL 17 1HG1 VAL 17 55.198 8.975 -1.236 107 2HG1 VAL 17 2HG1 VAL 17 53.485 9.363 -1.396 108 3HG1 VAL 17 3HG1 VAL 17 54.639 9.953 -2.593 109 1HG2 VAL 17 1HG2 VAL 17 53.917 7.387 -4.830 110 2HG2 VAL 17 2HG2 VAL 17 54.354 9.066 -4.526 111 3HG2 VAL 17 3HG2 VAL 17 52.718 8.506 -4.185 112 H CYS 18 H CYS 18 54.251 7.354 -0.541 113 HA CYS 18 HA CYS 18 54.921 4.887 0.704 114 1HB CYS 18 1HB CYS 18 57.035 6.068 1.038 115 2HB CYS 18 2HB CYS 18 56.167 7.434 1.725 116 H SER 19 H SER 19 52.949 4.493 1.384 117 HA SER 19 HA SER 19 51.651 6.436 3.170 118 1HB SER 19 1HB SER 19 49.725 4.718 1.840 119 2HB SER 19 2HB SER 19 49.767 6.478 1.935 120 HG SER 19 HG SER 19 51.252 4.891 0.107 121 H LEU 20 H LEU 20 51.834 5.620 5.082 122 HA LEU 20 HA LEU 20 52.239 2.923 5.737 123 1HB LEU 20 1HB LEU 20 51.276 5.281 7.336 124 2HB LEU 20 2HB LEU 20 51.678 3.729 8.059 125 HG LEU 20 HG LEU 20 53.670 5.178 6.373 126 1HD1 LEU 20 1HD1 LEU 20 54.553 6.183 8.486 127 2HD1 LEU 20 2HD1 LEU 20 53.044 5.713 9.268 128 3HD1 LEU 20 3HD1 LEU 20 53.023 6.862 7.930 129 1HD2 LEU 20 1HD2 LEU 20 55.243 3.836 7.403 130 2HD2 LEU 20 2HD2 LEU 20 53.855 2.753 7.291 131 3HD2 LEU 20 3HD2 LEU 20 54.228 3.553 8.817 132 H GLN 21 H GLN 21 49.381 4.972 5.924 133 HA GLN 21 HA GLN 21 47.614 3.108 7.012 134 1HB GLN 21 1HB GLN 21 45.983 4.608 5.358 135 2HB GLN 21 2HB GLN 21 46.392 4.978 7.022 136 1HG GLN 21 1HG GLN 21 46.664 6.896 5.531 137 2HG GLN 21 2HG GLN 21 48.174 6.432 6.308 138 1HE2 GLN 21 1HE2 GLN 21 46.382 5.438 3.403 139 2HE2 GLN 21 2HE2 GLN 21 47.732 5.565 2.323 140 H CYS 22 H CYS 22 49.155 2.924 4.021 141 HA CYS 22 HA CYS 22 47.048 1.153 2.981 142 1HB CYS 22 1HB CYS 22 49.084 2.871 1.575 143 2HB CYS 22 2HB CYS 22 48.290 1.531 0.758 144 H ASN 23 H ASN 23 50.243 1.414 4.153 145 HA ASN 23 HA ASN 23 51.360 -0.851 2.893 146 1HB ASN 23 1HB ASN 23 52.414 1.281 3.943 147 2HB ASN 23 2HB ASN 23 52.295 0.374 5.444 148 1HD2 ASN 23 1HD2 ASN 23 54.622 1.168 4.701 149 2HD2 ASN 23 2HD2 ASN 23 55.600 -0.138 4.121 150 H ASN 24 H ASN 24 49.055 -1.853 3.788 151 HA ASN 24 HA ASN 24 49.833 -3.340 6.193 152 1HB ASN 24 1HB ASN 24 47.148 -3.748 6.084 153 2HB ASN 24 2HB ASN 24 47.951 -2.600 7.123 154 1HD2 ASN 24 1HD2 ASN 24 48.489 -0.480 5.747 155 2HD2 ASN 24 2HD2 ASN 24 47.102 0.178 4.944 156 H HIS 25 H HIS 25 48.354 -5.333 6.362 157 HA HIS 25 HA HIS 25 49.135 -7.019 4.161 158 1HB HIS 25 1HB HIS 25 49.501 -7.727 6.444 159 2HB HIS 25 2HB HIS 25 47.788 -7.543 6.810 160 HD1 HIS 25 HD1 HIS 25 47.875 -10.116 7.519 161 HD2 HIS 25 HD2 HIS 25 48.514 -9.323 3.497 162 HE1 HIS 25 HE1 HIS 25 47.587 -12.324 6.350 163 HE2 HIS 25 HE2 HIS 25 47.879 -11.801 3.901 164 H ALA 26 H ALA 26 46.264 -5.559 5.463 165 HA ALA 26 HA ALA 26 44.499 -7.211 3.864 166 1HB ALA 26 1HB ALA 26 43.419 -6.869 5.808 167 2HB ALA 26 2HB ALA 26 42.830 -5.442 4.952 168 3HB ALA 26 3HB ALA 26 44.175 -5.300 6.085 169 H CYS 27 H CYS 27 46.169 -4.220 3.430 170 HA CYS 27 HA CYS 27 44.156 -3.380 1.459 171 1HB CYS 27 1HB CYS 27 46.262 -1.927 2.987 172 2HB CYS 27 2HB CYS 27 45.809 -1.313 1.401 173 H GLY 28 H GLY 28 47.402 -4.549 1.823 174 1HA GLY 28 1HA GLY 28 48.089 -5.787 -0.271 175 2HA GLY 28 2HA GLY 28 47.766 -4.273 -1.101 176 H TRP 29 H TRP 29 49.007 -3.562 1.911 177 HA TRP 29 HA TRP 29 50.981 -2.922 2.692 178 1HB TRP 29 1HB TRP 29 52.007 -4.794 0.550 179 2HB TRP 29 2HB TRP 29 53.058 -3.972 1.697 180 HD1 TRP 29 HD1 TRP 29 51.493 -7.194 1.326 181 HE1 TRP 29 HE1 TRP 29 51.200 -8.320 3.630 182 HE3 TRP 29 HE3 TRP 29 52.181 -3.183 4.316 183 HZ2 TRP 29 HZ2 TRP 29 51.264 -7.610 6.296 184 HZ3 TRP 29 HZ3 TRP 29 52.004 -3.434 6.726 185 HH2 TRP 29 HH2 TRP 29 51.568 -5.639 7.725 186 H ASP 30 H ASP 30 49.604 -1.278 0.978 187 HA ASP 30 HA ASP 30 49.756 0.510 -0.422 188 1HB ASP 30 1HB ASP 30 50.903 1.300 1.610 189 2HB ASP 30 2HB ASP 30 52.429 0.730 0.973 190 H GLY 31 H GLY 31 50.722 -2.035 -1.513 191 1HA GLY 31 1HA GLY 31 51.629 -2.783 -3.475 192 2HA GLY 31 2HA GLY 31 51.701 -1.104 -3.979 193 H GLY 32 H GLY 32 53.436 -1.452 -1.125 194 1HA GLY 32 1HA GLY 32 55.688 -1.950 -0.704 195 2HA GLY 32 2HA GLY 32 55.903 -2.315 -2.413 196 H ASP 33 H ASP 33 54.355 0.557 -1.225 197 HA ASP 33 HA ASP 33 56.278 2.212 -2.623 198 1HB ASP 33 1HB ASP 33 53.606 2.628 -1.354 199 2HB ASP 33 2HB ASP 33 54.628 4.015 -1.684 200 H CYS 34 H CYS 34 55.009 1.844 0.671 201 HA CYS 34 HA CYS 34 56.877 3.756 1.738 202 1HB CYS 34 1HB CYS 34 54.677 2.095 2.785 203 2HB CYS 34 2HB CYS 34 56.007 2.317 3.912 204 H SER 35 H SER 35 56.358 0.279 2.328 205 HA SER 35 HA SER 35 59.015 -0.510 1.903 206 1HB SER 35 1HB SER 35 58.382 0.468 4.631 207 2HB SER 35 2HB SER 35 59.280 -1.046 4.534 208 HG SER 35 HG SER 35 60.043 1.263 3.091 Start of MODEL 11 1 1H GLU 1 1H GLU 1 37.947 -5.588 7.549 2 2H GLU 1 2H GLU 1 38.948 -5.735 8.935 3 3H GLU 1 3H GLU 1 37.322 -6.284 8.986 4 HA GLU 1 HA GLU 1 38.911 -8.075 8.793 5 1HB GLU 1 1HB GLU 1 37.715 -9.195 6.982 6 2HB GLU 1 2HB GLU 1 36.601 -8.243 7.954 7 1HG GLU 1 1HG GLU 1 37.784 -7.030 5.507 8 2HG GLU 1 2HG GLU 1 36.484 -8.209 5.343 9 H GLU 2 H GLU 2 39.762 -9.370 6.669 10 HA GLU 2 HA GLU 2 42.028 -7.805 5.790 11 1HB GLU 2 1HB GLU 2 41.281 -10.678 5.792 12 2HB GLU 2 2HB GLU 2 42.387 -10.151 4.531 13 1HG GLU 2 1HG GLU 2 43.521 -11.024 6.538 14 2HG GLU 2 2HG GLU 2 43.958 -9.360 6.153 15 H ALA 3 H ALA 3 40.147 -6.470 4.669 16 HA ALA 3 HA ALA 3 40.273 -7.207 1.845 17 1HB ALA 3 1HB ALA 3 38.129 -7.921 2.034 18 2HB ALA 3 2HB ALA 3 37.797 -6.198 1.854 19 3HB ALA 3 3HB ALA 3 37.812 -6.930 3.458 20 H CYS 4 H CYS 4 41.373 -5.151 3.831 21 HA CYS 4 HA CYS 4 42.044 -2.981 3.742 22 1HB CYS 4 1HB CYS 4 42.560 -3.759 1.410 23 2HB CYS 4 2HB CYS 4 41.035 -3.060 0.903 24 H GLU 5 H GLU 5 41.188 -1.024 4.308 25 HA GLU 5 HA GLU 5 38.324 -0.634 3.788 26 1HB GLU 5 1HB GLU 5 38.110 0.425 5.964 27 2HB GLU 5 2HB GLU 5 38.765 -1.196 6.149 28 1HG GLU 5 1HG GLU 5 41.033 0.300 5.951 29 2HG GLU 5 2HG GLU 5 39.944 1.400 6.793 30 H LEU 6 H LEU 6 40.974 0.348 2.558 31 HA LEU 6 HA LEU 6 40.260 3.206 2.598 32 1HB LEU 6 1HB LEU 6 42.906 1.846 2.692 33 2HB LEU 6 2HB LEU 6 42.781 3.375 1.845 34 HG LEU 6 HG LEU 6 41.779 4.324 3.983 35 1HD1 LEU 6 1HD1 LEU 6 42.437 1.572 4.839 36 2HD1 LEU 6 2HD1 LEU 6 41.171 2.666 5.397 37 3HD1 LEU 6 3HD1 LEU 6 42.828 2.873 5.963 38 1HD2 LEU 6 1HD2 LEU 6 44.627 3.332 4.020 39 2HD2 LEU 6 2HD2 LEU 6 43.978 4.635 5.014 40 3HD2 LEU 6 3HD2 LEU 6 44.050 4.815 3.262 41 HA PRO 7 HA PRO 7 39.478 2.129 -1.698 42 1HB PRO 7 1HB PRO 7 38.410 4.863 -1.783 43 2HB PRO 7 2HB PRO 7 37.588 3.335 -2.109 44 1HG PRO 7 1HG PRO 7 37.067 4.810 0.091 45 2HG PRO 7 2HG PRO 7 36.980 3.039 0.090 46 1HD PRO 7 1HD PRO 7 39.141 4.828 1.131 47 2HD PRO 7 2HD PRO 7 38.489 3.326 1.824 48 H GLU 8 H GLU 8 41.378 4.480 -0.152 49 HA GLU 8 HA GLU 8 42.296 5.819 -2.531 50 1HB GLU 8 1HB GLU 8 44.010 6.802 -0.981 51 2HB GLU 8 2HB GLU 8 42.339 7.097 -0.523 52 1HG GLU 8 1HG GLU 8 43.599 4.713 0.660 53 2HG GLU 8 2HG GLU 8 44.238 6.271 1.178 54 H CYS 9 H CYS 9 43.515 3.229 -0.437 55 HA CYS 9 HA CYS 9 46.077 2.996 -1.448 56 1HB CYS 9 1HB CYS 9 44.306 0.686 -0.636 57 2HB CYS 9 2HB CYS 9 46.068 0.742 -0.613 58 H GLN 10 H GLN 10 43.072 2.221 -2.971 59 HA GLN 10 HA GLN 10 43.930 0.309 -4.830 60 1HB GLN 10 1HB GLN 10 41.795 2.428 -5.134 61 2HB GLN 10 2HB GLN 10 41.986 1.024 -6.176 62 1HG GLN 10 1HG GLN 10 41.673 -0.395 -4.117 63 2HG GLN 10 2HG GLN 10 41.202 1.081 -3.277 64 1HE2 GLN 10 1HE2 GLN 10 39.793 2.337 -5.318 65 2HE2 GLN 10 2HE2 GLN 10 38.353 1.437 -5.636 66 H GLU 11 H GLU 11 44.274 3.787 -4.743 67 HA GLU 11 HA GLU 11 45.675 3.679 -7.338 68 1HB GLU 11 1HB GLU 11 44.282 6.035 -6.048 69 2HB GLU 11 2HB GLU 11 45.155 6.079 -7.574 70 1HG GLU 11 1HG GLU 11 43.183 3.996 -7.622 71 2HG GLU 11 2HG GLU 11 42.445 5.529 -7.160 72 H ASP 12 H ASP 12 45.725 4.701 -4.024 73 HA ASP 12 HA ASP 12 48.091 6.228 -4.104 74 1HB ASP 12 1HB ASP 12 46.139 5.263 -2.170 75 2HB ASP 12 2HB ASP 12 47.750 5.331 -1.529 76 H ALA 13 H ALA 13 47.411 2.821 -3.814 77 HA ALA 13 HA ALA 13 49.985 2.124 -2.745 78 1HB ALA 13 1HB ALA 13 47.948 0.751 -2.383 79 2HB ALA 13 2HB ALA 13 49.308 -0.162 -3.037 80 3HB ALA 13 3HB ALA 13 47.982 0.321 -4.094 81 H GLY 14 H GLY 14 51.830 1.940 -3.831 82 1HA GLY 14 1HA GLY 14 53.263 1.376 -5.576 83 2HA GLY 14 2HA GLY 14 51.864 0.969 -6.558 84 H ASN 15 H ASN 15 52.580 4.044 -4.946 85 HA ASN 15 HA ASN 15 52.633 5.337 -7.571 86 1HB ASN 15 1HB ASN 15 51.859 7.358 -6.338 87 2HB ASN 15 2HB ASN 15 50.706 6.030 -6.291 88 1HD2 ASN 15 1HD2 ASN 15 49.903 7.347 -4.476 89 2HD2 ASN 15 2HD2 ASN 15 50.575 7.051 -2.907 90 H LYS 16 H LYS 16 54.732 4.142 -5.643 91 HA LYS 16 HA LYS 16 56.891 4.504 -5.167 92 1HB LYS 16 1HB LYS 16 56.875 7.147 -6.547 93 2HB LYS 16 2HB LYS 16 58.126 5.904 -6.526 94 1HG LYS 16 1HG LYS 16 55.574 5.948 -8.106 95 2HG LYS 16 2HG LYS 16 57.230 5.904 -8.691 96 1HD LYS 16 1HD LYS 16 57.195 3.652 -7.214 97 2HD LYS 16 2HD LYS 16 55.507 3.721 -7.727 98 1HE LYS 16 1HE LYS 16 56.238 3.906 -10.063 99 2HE LYS 16 2HE LYS 16 57.918 3.811 -9.540 100 1HZ LYS 16 1HZ LYS 16 56.549 1.698 -10.317 101 2HZ LYS 16 2HZ LYS 16 56.147 1.664 -8.675 102 3HZ LYS 16 3HZ LYS 16 57.769 1.603 -9.148 103 H VAL 17 H VAL 17 54.535 5.992 -3.759 104 HA VAL 17 HA VAL 17 56.104 7.997 -2.314 105 HB VAL 17 HB VAL 17 53.183 7.500 -1.820 106 1HG1 VAL 17 1HG1 VAL 17 54.356 10.207 -1.899 107 2HG1 VAL 17 2HG1 VAL 17 54.936 9.153 -0.611 108 3HG1 VAL 17 3HG1 VAL 17 53.213 9.498 -0.759 109 1HG2 VAL 17 1HG2 VAL 17 53.743 7.794 -4.325 110 2HG2 VAL 17 2HG2 VAL 17 54.114 9.460 -3.889 111 3HG2 VAL 17 3HG2 VAL 17 52.496 8.816 -3.615 112 H CYS 18 H CYS 18 54.037 7.463 -0.039 113 HA CYS 18 HA CYS 18 54.779 4.939 1.039 114 1HB CYS 18 1HB CYS 18 56.852 6.160 1.468 115 2HB CYS 18 2HB CYS 18 55.939 7.448 2.240 116 H SER 19 H SER 19 52.825 4.430 1.695 117 HA SER 19 HA SER 19 51.438 6.227 3.568 118 1HB SER 19 1HB SER 19 50.411 4.911 1.109 119 2HB SER 19 2HB SER 19 49.357 4.850 2.522 120 HG SER 19 HG SER 19 49.350 7.072 2.596 121 H LEU 20 H LEU 20 51.650 5.348 5.443 122 HA LEU 20 HA LEU 20 52.132 2.617 5.966 123 1HB LEU 20 1HB LEU 20 51.195 4.885 7.706 124 2HB LEU 20 2HB LEU 20 51.692 3.318 8.330 125 HG LEU 20 HG LEU 20 53.536 4.908 6.608 126 1HD1 LEU 20 1HD1 LEU 20 53.206 5.263 9.584 127 2HD1 LEU 20 2HD1 LEU 20 52.781 6.449 8.349 128 3HD1 LEU 20 3HD1 LEU 20 54.466 5.986 8.586 129 1HD2 LEU 20 1HD2 LEU 20 53.794 2.440 7.533 130 2HD2 LEU 20 2HD2 LEU 20 54.378 3.301 8.957 131 3HD2 LEU 20 3HD2 LEU 20 55.172 3.531 7.399 132 H GLN 21 H GLN 21 49.270 4.608 5.947 133 HA GLN 21 HA GLN 21 47.529 2.696 7.123 134 1HB GLN 21 1HB GLN 21 45.895 4.290 5.528 135 2HB GLN 21 2HB GLN 21 46.246 4.516 7.231 136 1HG GLN 21 1HG GLN 21 46.575 6.582 6.086 137 2HG GLN 21 2HG GLN 21 48.143 5.973 6.609 138 1HE2 GLN 21 1HE2 GLN 21 46.104 5.190 3.814 139 2HE2 GLN 21 2HE2 GLN 21 47.300 5.574 2.618 140 H CYS 22 H CYS 22 49.092 2.637 4.178 141 HA CYS 22 HA CYS 22 47.007 0.909 3.020 142 1HB CYS 22 1HB CYS 22 48.998 2.754 1.710 143 2HB CYS 22 2HB CYS 22 48.228 1.446 0.819 144 H ASN 23 H ASN 23 50.193 1.177 4.216 145 HA ASN 23 HA ASN 23 51.377 -0.974 2.824 146 1HB ASN 23 1HB ASN 23 52.360 1.113 4.040 147 2HB ASN 23 2HB ASN 23 52.265 0.085 5.464 148 1HD2 ASN 23 1HD2 ASN 23 54.569 0.993 4.817 149 2HD2 ASN 23 2HD2 ASN 23 55.585 -0.229 4.133 150 H ASN 24 H ASN 24 49.087 -2.087 3.629 151 HA ASN 24 HA ASN 24 49.885 -3.709 5.937 152 1HB ASN 24 1HB ASN 24 47.211 -4.174 5.778 153 2HB ASN 24 2HB ASN 24 47.979 -3.078 6.898 154 1HD2 ASN 24 1HD2 ASN 24 48.474 -0.857 5.672 155 2HD2 ASN 24 2HD2 ASN 24 47.078 -0.181 4.900 156 H HIS 25 H HIS 25 48.452 -5.744 5.960 157 HA HIS 25 HA HIS 25 49.296 -7.259 3.660 158 1HB HIS 25 1HB HIS 25 49.661 -8.108 5.895 159 2HB HIS 25 2HB HIS 25 47.940 -7.991 6.254 160 HD1 HIS 25 HD1 HIS 25 48.084 -10.601 6.793 161 HD2 HIS 25 HD2 HIS 25 48.743 -9.529 2.839 162 HE1 HIS 25 HE1 HIS 25 47.863 -12.735 5.478 163 HE2 HIS 25 HE2 HIS 25 48.173 -12.046 3.073 164 H ALA 26 H ALA 26 46.378 -5.956 5.018 165 HA ALA 26 HA ALA 26 44.670 -7.544 3.296 166 1HB ALA 26 1HB ALA 26 44.052 -5.468 5.379 167 2HB ALA 26 2HB ALA 26 43.901 -7.220 5.525 168 3HB ALA 26 3HB ALA 26 42.833 -6.329 4.439 169 H CYS 27 H CYS 27 46.248 -4.469 3.112 170 HA CYS 27 HA CYS 27 44.252 -3.551 1.161 171 1HB CYS 27 1HB CYS 27 46.321 -2.169 2.800 172 2HB CYS 27 2HB CYS 27 45.874 -1.462 1.251 173 H GLY 28 H GLY 28 47.508 -4.696 1.480 174 1HA GLY 28 1HA GLY 28 48.246 -5.786 -0.671 175 2HA GLY 28 2HA GLY 28 47.890 -4.236 -1.417 176 H TRP 29 H TRP 29 49.092 -3.670 1.644 177 HA TRP 29 HA TRP 29 51.042 -3.025 2.478 178 1HB TRP 29 1HB TRP 29 52.139 -4.728 0.230 179 2HB TRP 29 2HB TRP 29 53.155 -3.954 1.443 180 HD1 TRP 29 HD1 TRP 29 51.673 -7.186 0.840 181 HE1 TRP 29 HE1 TRP 29 51.392 -8.471 3.061 182 HE3 TRP 29 HE3 TRP 29 52.246 -3.368 4.096 183 HZ2 TRP 29 HZ2 TRP 29 51.422 -7.938 5.770 184 HZ3 TRP 29 HZ3 TRP 29 52.059 -3.784 6.482 185 HH2 TRP 29 HH2 TRP 29 51.670 -6.060 7.329 186 H ASP 30 H ASP 30 49.620 -1.331 0.851 187 HA ASP 30 HA ASP 30 49.719 0.547 -0.429 188 1HB ASP 30 1HB ASP 30 50.860 1.221 1.662 189 2HB ASP 30 2HB ASP 30 52.396 0.774 0.954 190 H GLY 31 H GLY 31 50.769 -1.900 -1.667 191 1HA GLY 31 1HA GLY 31 51.691 -2.493 -3.677 192 2HA GLY 31 2HA GLY 31 51.729 -0.782 -4.067 193 H GLY 32 H GLY 32 53.450 -1.290 -1.228 194 1HA GLY 32 1HA GLY 32 55.710 -1.759 -0.820 195 2HA GLY 32 2HA GLY 32 55.947 -2.007 -2.547 196 H ASP 33 H ASP 33 54.328 0.744 -1.171 197 HA ASP 33 HA ASP 33 56.209 2.534 -2.453 198 1HB ASP 33 1HB ASP 33 53.522 2.793 -1.175 199 2HB ASP 33 2HB ASP 33 54.508 4.228 -1.397 200 H CYS 34 H CYS 34 54.949 1.916 0.804 201 HA CYS 34 HA CYS 34 56.760 3.802 2.005 202 1HB CYS 34 1HB CYS 34 54.608 2.010 2.925 203 2HB CYS 34 2HB CYS 34 55.927 2.192 4.071 204 H SER 35 H SER 35 56.336 0.283 2.361 205 HA SER 35 HA SER 35 59.017 -0.401 1.893 206 1HB SER 35 1HB SER 35 58.903 0.865 4.273 207 2HB SER 35 2HB SER 35 58.562 -0.784 4.797 208 HG SER 35 HG SER 35 60.853 -0.092 4.673 Start of MODEL 12 1 1H GLU 1 1H GLU 1 38.014 -9.243 8.297 2 2H GLU 1 2H GLU 1 37.718 -8.600 9.860 3 3H GLU 1 3H GLU 1 39.327 -8.893 9.341 4 HA GLU 1 HA GLU 1 37.539 -7.047 7.932 5 1HB GLU 1 1HB GLU 1 38.704 -5.262 9.264 6 2HB GLU 1 2HB GLU 1 37.588 -6.254 10.192 7 1HG GLU 1 1HG GLU 1 40.496 -6.932 10.103 8 2HG GLU 1 2HG GLU 1 39.900 -5.672 11.181 9 H GLU 2 H GLU 2 39.419 -8.944 6.896 10 HA GLU 2 HA GLU 2 41.733 -7.283 6.197 11 1HB GLU 2 1HB GLU 2 41.196 -10.239 5.932 12 2HB GLU 2 2HB GLU 2 42.579 -9.457 5.179 13 1HG GLU 2 1HG GLU 2 42.299 -8.831 8.011 14 2HG GLU 2 2HG GLU 2 42.523 -10.549 7.685 15 H ALA 3 H ALA 3 39.942 -6.061 4.952 16 HA ALA 3 HA ALA 3 40.069 -6.976 2.181 17 1HB ALA 3 1HB ALA 3 37.787 -6.743 1.747 18 2HB ALA 3 2HB ALA 3 37.501 -5.856 3.243 19 3HB ALA 3 3HB ALA 3 37.839 -7.586 3.295 20 H CYS 4 H CYS 4 41.204 -4.820 4.020 21 HA CYS 4 HA CYS 4 41.903 -2.669 3.787 22 1HB CYS 4 1HB CYS 4 42.350 -3.613 1.490 23 2HB CYS 4 2HB CYS 4 40.843 -2.882 0.974 24 H GLU 5 H GLU 5 41.074 -0.691 4.286 25 HA GLU 5 HA GLU 5 38.217 -0.267 3.751 26 1HB GLU 5 1HB GLU 5 38.231 1.089 5.893 27 2HB GLU 5 2HB GLU 5 38.376 -0.653 6.082 28 1HG GLU 5 1HG GLU 5 40.976 0.541 5.851 29 2HG GLU 5 2HG GLU 5 40.047 1.328 7.125 30 H LEU 6 H LEU 6 40.887 0.611 2.483 31 HA LEU 6 HA LEU 6 40.212 3.474 2.380 32 1HB LEU 6 1HB LEU 6 42.863 2.104 2.518 33 2HB LEU 6 2HB LEU 6 42.722 3.657 1.717 34 HG LEU 6 HG LEU 6 41.442 4.009 4.178 35 1HD1 LEU 6 1HD1 LEU 6 43.498 3.394 5.648 36 2HD1 LEU 6 2HD1 LEU 6 43.801 2.194 4.394 37 3HD1 LEU 6 3HD1 LEU 6 42.280 2.173 5.285 38 1HD2 LEU 6 1HD2 LEU 6 43.657 5.279 4.648 39 2HD2 LEU 6 2HD2 LEU 6 42.620 5.802 3.321 40 3HD2 LEU 6 3HD2 LEU 6 44.056 4.834 2.988 41 HA PRO 7 HA PRO 7 39.522 2.193 -1.878 42 1HB PRO 7 1HB PRO 7 38.480 4.926 -2.125 43 2HB PRO 7 2HB PRO 7 37.652 3.389 -2.389 44 1HG PRO 7 1HG PRO 7 37.100 4.985 -0.283 45 2HG PRO 7 2HG PRO 7 36.987 3.217 -0.195 46 1HD PRO 7 1HD PRO 7 39.147 5.031 0.809 47 2HD PRO 7 2HD PRO 7 38.461 3.569 1.557 48 H GLU 8 H GLU 8 41.402 4.595 -0.398 49 HA GLU 8 HA GLU 8 42.386 5.849 -2.790 50 1HB GLU 8 1HB GLU 8 44.068 6.859 -1.249 51 2HB GLU 8 2HB GLU 8 42.400 7.132 -0.765 52 1HG GLU 8 1HG GLU 8 42.548 5.514 0.963 53 2HG GLU 8 2HG GLU 8 44.106 4.937 0.373 54 H CYS 9 H CYS 9 43.539 3.295 -0.609 55 HA CYS 9 HA CYS 9 46.109 2.995 -1.574 56 1HB CYS 9 1HB CYS 9 44.298 0.721 -0.751 57 2HB CYS 9 2HB CYS 9 46.060 0.765 -0.689 58 H GLN 10 H GLN 10 43.123 2.235 -3.135 59 HA GLN 10 HA GLN 10 43.962 0.269 -4.936 60 1HB GLN 10 1HB GLN 10 41.601 1.409 -4.450 61 2HB GLN 10 2HB GLN 10 42.045 2.345 -5.871 62 1HG GLN 10 1HG GLN 10 42.526 0.016 -6.921 63 2HG GLN 10 2HG GLN 10 41.483 -0.571 -5.627 64 1HE2 GLN 10 1HE2 GLN 10 41.501 2.158 -7.902 65 2HE2 GLN 10 2HE2 GLN 10 39.863 1.961 -8.416 66 H GLU 11 H GLU 11 44.397 3.744 -4.936 67 HA GLU 11 HA GLU 11 45.885 3.515 -7.474 68 1HB GLU 11 1HB GLU 11 45.401 5.863 -7.885 69 2HB GLU 11 2HB GLU 11 43.904 4.973 -7.648 70 1HG GLU 11 1HG GLU 11 44.278 5.775 -5.145 71 2HG GLU 11 2HG GLU 11 45.164 7.059 -5.968 72 H ASP 12 H ASP 12 45.845 4.636 -4.194 73 HA ASP 12 HA ASP 12 48.257 6.099 -4.245 74 1HB ASP 12 1HB ASP 12 46.207 5.274 -2.349 75 2HB ASP 12 2HB ASP 12 47.796 5.316 -1.653 76 H ALA 13 H ALA 13 47.610 2.765 -4.319 77 HA ALA 13 HA ALA 13 50.039 1.994 -2.923 78 1HB ALA 13 1HB ALA 13 49.346 -0.316 -3.527 79 2HB ALA 13 2HB ALA 13 47.945 0.364 -4.354 80 3HB ALA 13 3HB ALA 13 48.127 0.572 -2.612 81 H GLY 14 H GLY 14 51.910 1.310 -3.862 82 1HA GLY 14 1HA GLY 14 53.485 0.959 -5.509 83 2HA GLY 14 2HA GLY 14 52.156 0.510 -6.565 84 H ASN 15 H ASN 15 52.982 3.600 -4.989 85 HA ASN 15 HA ASN 15 53.034 4.842 -7.641 86 1HB ASN 15 1HB ASN 15 52.250 6.893 -6.436 87 2HB ASN 15 2HB ASN 15 51.088 5.571 -6.455 88 1HD2 ASN 15 1HD2 ASN 15 50.275 6.998 -4.673 89 2HD2 ASN 15 2HD2 ASN 15 50.841 6.636 -3.076 90 H LYS 16 H LYS 16 55.116 3.712 -5.651 91 HA LYS 16 HA LYS 16 57.261 4.123 -5.130 92 1HB LYS 16 1HB LYS 16 57.248 6.711 -6.611 93 2HB LYS 16 2HB LYS 16 58.505 5.478 -6.521 94 1HG LYS 16 1HG LYS 16 55.982 5.444 -8.146 95 2HG LYS 16 2HG LYS 16 57.649 5.393 -8.704 96 1HD LYS 16 1HD LYS 16 57.557 3.199 -7.103 97 2HD LYS 16 2HD LYS 16 55.914 3.233 -7.748 98 1HE LYS 16 1HE LYS 16 56.803 3.305 -10.020 99 2HE LYS 16 2HE LYS 16 58.448 3.298 -9.386 100 1HZ LYS 16 1HZ LYS 16 58.246 1.097 -9.702 101 2HZ LYS 16 2HZ LYS 16 56.556 1.115 -9.650 102 3HZ LYS 16 3HZ LYS 16 57.444 1.128 -8.212 103 H VAL 17 H VAL 17 54.838 5.695 -3.864 104 HA VAL 17 HA VAL 17 56.387 7.729 -2.435 105 HB VAL 17 HB VAL 17 53.460 7.309 -1.958 106 1HG1 VAL 17 1HG1 VAL 17 54.673 9.981 -2.287 107 2HG1 VAL 17 2HG1 VAL 17 55.228 9.037 -0.905 108 3HG1 VAL 17 3HG1 VAL 17 53.512 9.399 -1.093 109 1HG2 VAL 17 1HG2 VAL 17 52.782 8.509 -3.855 110 2HG2 VAL 17 2HG2 VAL 17 53.956 7.351 -4.473 111 3HG2 VAL 17 3HG2 VAL 17 54.425 9.030 -4.222 112 H CYS 18 H CYS 18 54.290 7.350 -0.185 113 HA CYS 18 HA CYS 18 54.942 4.816 0.959 114 1HB CYS 18 1HB CYS 18 57.000 6.047 1.441 115 2HB CYS 18 2HB CYS 18 56.057 7.338 2.173 116 H SER 19 H SER 19 52.947 4.335 1.507 117 HA SER 19 HA SER 19 51.478 6.186 3.267 118 1HB SER 19 1HB SER 19 50.591 4.763 0.826 119 2HB SER 19 2HB SER 19 49.485 4.672 2.195 120 HG SER 19 HG SER 19 50.566 7.070 1.131 121 H LEU 20 H LEU 20 51.634 5.411 5.193 122 HA LEU 20 HA LEU 20 52.131 2.708 5.861 123 1HB LEU 20 1HB LEU 20 51.179 5.068 7.465 124 2HB LEU 20 2HB LEU 20 51.651 3.533 8.180 125 HG LEU 20 HG LEU 20 53.545 4.997 6.403 126 1HD1 LEU 20 1HD1 LEU 20 54.137 6.554 7.930 127 2HD1 LEU 20 2HD1 LEU 20 53.755 5.512 9.301 128 3HD1 LEU 20 3HD1 LEU 20 52.462 6.355 8.447 129 1HD2 LEU 20 1HD2 LEU 20 53.740 2.595 7.538 130 2HD2 LEU 20 2HD2 LEU 20 54.352 3.573 8.872 131 3HD2 LEU 20 3HD2 LEU 20 55.136 3.644 7.295 132 H GLN 21 H GLN 21 49.257 4.735 5.910 133 HA GLN 21 HA GLN 21 47.538 2.828 7.090 134 1HB GLN 21 1HB GLN 21 45.826 4.344 6.754 135 2HB GLN 21 2HB GLN 21 47.234 5.394 6.775 136 1HG GLN 21 1HG GLN 21 45.809 4.397 4.318 137 2HG GLN 21 2HG GLN 21 45.678 6.012 5.014 138 1HE2 GLN 21 1HE2 GLN 21 46.413 5.611 2.398 139 2HE2 GLN 21 2HE2 GLN 21 48.071 6.064 2.189 140 H CYS 22 H CYS 22 49.032 2.751 4.101 141 HA CYS 22 HA CYS 22 46.900 1.061 2.976 142 1HB CYS 22 1HB CYS 22 48.940 2.847 1.670 143 2HB CYS 22 2HB CYS 22 48.209 1.517 0.782 144 H ASN 23 H ASN 23 50.111 1.277 4.129 145 HA ASN 23 HA ASN 23 51.214 -0.954 2.810 146 1HB ASN 23 1HB ASN 23 52.258 1.137 3.979 147 2HB ASN 23 2HB ASN 23 52.159 0.128 5.416 148 1HD2 ASN 23 1HD2 ASN 23 54.476 0.954 4.750 149 2HD2 ASN 23 2HD2 ASN 23 55.450 -0.292 4.047 150 H ASN 24 H ASN 24 48.917 -2.004 3.635 151 HA ASN 24 HA ASN 24 49.677 -3.569 5.994 152 1HB ASN 24 1HB ASN 24 46.997 -3.996 5.840 153 2HB ASN 24 2HB ASN 24 47.780 -2.886 6.934 154 1HD2 ASN 24 1HD2 ASN 24 48.316 -0.706 5.642 155 2HD2 ASN 24 2HD2 ASN 24 46.929 -0.026 4.857 156 H HIS 25 H HIS 25 48.221 -5.586 6.067 157 HA HIS 25 HA HIS 25 49.052 -7.166 3.810 158 1HB HIS 25 1HB HIS 25 49.396 -7.970 6.062 159 2HB HIS 25 2HB HIS 25 47.676 -7.816 6.414 160 HD1 HIS 25 HD1 HIS 25 47.762 -10.413 7.012 161 HD2 HIS 25 HD2 HIS 25 48.477 -9.450 3.041 162 HE1 HIS 25 HE1 HIS 25 47.509 -12.573 5.746 163 HE2 HIS 25 HE2 HIS 25 47.854 -11.949 3.329 164 H ALA 26 H ALA 26 46.142 -5.800 5.126 165 HA ALA 26 HA ALA 26 44.425 -7.397 3.421 166 1HB ALA 26 1HB ALA 26 42.597 -6.122 4.531 167 2HB ALA 26 2HB ALA 26 43.830 -5.294 5.481 168 3HB ALA 26 3HB ALA 26 43.630 -7.040 5.627 169 H CYS 27 H CYS 27 46.058 -4.365 3.174 170 HA CYS 27 HA CYS 27 44.077 -3.437 1.213 171 1HB CYS 27 1HB CYS 27 46.161 -2.070 2.841 172 2HB CYS 27 2HB CYS 27 45.772 -1.388 1.266 173 H GLY 28 H GLY 28 47.321 -4.619 1.556 174 1HA GLY 28 1HA GLY 28 48.044 -5.768 -0.572 175 2HA GLY 28 2HA GLY 28 47.714 -4.226 -1.349 176 H TRP 29 H TRP 29 48.908 -3.628 1.708 177 HA TRP 29 HA TRP 29 50.863 -2.995 2.542 178 1HB TRP 29 1HB TRP 29 51.942 -4.756 0.333 179 2HB TRP 29 2HB TRP 29 52.967 -3.971 1.529 180 HD1 TRP 29 HD1 TRP 29 51.447 -7.195 1.000 181 HE1 TRP 29 HE1 TRP 29 51.139 -8.421 3.250 182 HE3 TRP 29 HE3 TRP 29 52.052 -3.308 4.163 183 HZ2 TRP 29 HZ2 TRP 29 51.160 -7.822 5.946 184 HZ3 TRP 29 HZ3 TRP 29 51.848 -3.660 6.557 185 HH2 TRP 29 HH2 TRP 29 51.425 -5.909 7.459 186 H ASP 30 H ASP 30 49.497 -1.270 0.927 187 HA ASP 30 HA ASP 30 49.640 0.612 -0.342 188 1HB ASP 30 1HB ASP 30 50.855 1.321 1.653 189 2HB ASP 30 2HB ASP 30 52.344 0.669 1.009 190 H GLY 31 H GLY 31 50.671 -1.948 -1.555 191 1HA GLY 31 1HA GLY 31 51.418 -2.509 -3.656 192 2HA GLY 31 2HA GLY 31 51.588 -0.797 -3.996 193 H GLY 32 H GLY 32 53.358 -0.960 -1.340 194 1HA GLY 32 1HA GLY 32 55.559 -1.818 -0.919 195 2HA GLY 32 2HA GLY 32 55.754 -2.047 -2.651 196 H ASP 33 H ASP 33 54.367 0.852 -1.278 197 HA ASP 33 HA ASP 33 56.506 2.408 -2.468 198 1HB ASP 33 1HB ASP 33 54.233 3.668 -0.997 199 2HB ASP 33 2HB ASP 33 55.071 4.202 -2.446 200 H CYS 34 H CYS 34 55.009 1.880 0.711 201 HA CYS 34 HA CYS 34 56.856 3.664 2.010 202 1HB CYS 34 1HB CYS 34 54.592 1.959 2.827 203 2HB CYS 34 2HB CYS 34 55.870 2.084 4.024 204 H SER 35 H SER 35 56.271 0.158 2.290 205 HA SER 35 HA SER 35 57.647 -1.600 2.720 206 1HB SER 35 1HB SER 35 58.791 -0.891 0.672 207 2HB SER 35 2HB SER 35 59.772 0.244 1.599 208 HG SER 35 HG SER 35 59.788 -2.586 1.745 Start of MODEL 13 1 1H GLU 1 1H GLU 1 36.493 -8.657 8.145 2 2H GLU 1 2H GLU 1 37.671 -9.243 7.043 3 3H GLU 1 3H GLU 1 36.812 -7.799 6.696 4 HA GLU 1 HA GLU 1 37.827 -6.676 8.474 5 1HB GLU 1 1HB GLU 1 38.669 -9.456 9.138 6 2HB GLU 1 2HB GLU 1 39.773 -8.153 9.555 7 1HG GLU 1 1HG GLU 1 38.511 -8.450 11.476 8 2HG GLU 1 2HG GLU 1 37.757 -7.062 10.692 9 H GLU 2 H GLU 2 39.980 -9.230 7.232 10 HA GLU 2 HA GLU 2 41.895 -7.310 6.317 11 1HB GLU 2 1HB GLU 2 41.665 -10.279 6.318 12 2HB GLU 2 2HB GLU 2 42.772 -9.549 5.163 13 1HG GLU 2 1HG GLU 2 44.278 -9.087 6.733 14 2HG GLU 2 2HG GLU 2 43.059 -8.455 7.839 15 H ALA 3 H ALA 3 40.155 -6.194 4.996 16 HA ALA 3 HA ALA 3 40.374 -7.136 2.240 17 1HB ALA 3 1HB ALA 3 37.879 -6.190 2.105 18 2HB ALA 3 2HB ALA 3 37.864 -6.794 3.763 19 3HB ALA 3 3HB ALA 3 38.242 -7.884 2.429 20 H CYS 4 H CYS 4 41.374 -4.910 4.093 21 HA CYS 4 HA CYS 4 42.003 -2.739 3.848 22 1HB CYS 4 1HB CYS 4 42.572 -3.706 1.587 23 2HB CYS 4 2HB CYS 4 41.063 -3.035 1.001 24 H GLU 5 H GLU 5 41.057 -0.830 4.361 25 HA GLU 5 HA GLU 5 38.230 -0.490 3.639 26 1HB GLU 5 1HB GLU 5 37.858 0.614 5.774 27 2HB GLU 5 2HB GLU 5 38.511 -0.998 6.035 28 1HG GLU 5 1HG GLU 5 40.387 -0.226 6.986 29 2HG GLU 5 2HG GLU 5 40.519 1.131 5.869 30 H LEU 6 H LEU 6 40.939 0.506 2.562 31 HA LEU 6 HA LEU 6 40.194 3.355 2.513 32 1HB LEU 6 1HB LEU 6 42.903 2.061 2.565 33 2HB LEU 6 2HB LEU 6 42.669 3.705 2.000 34 HG LEU 6 HG LEU 6 41.389 3.718 4.443 35 1HD1 LEU 6 1HD1 LEU 6 43.978 2.244 4.844 36 2HD1 LEU 6 2HD1 LEU 6 42.411 1.435 4.810 37 3HD1 LEU 6 3HD1 LEU 6 42.750 2.648 6.044 38 1HD2 LEU 6 1HD2 LEU 6 42.630 5.576 4.097 39 2HD2 LEU 6 2HD2 LEU 6 43.956 4.687 3.349 40 3HD2 LEU 6 3HD2 LEU 6 43.787 4.707 5.105 41 HA PRO 7 HA PRO 7 39.636 2.214 -1.803 42 1HB PRO 7 1HB PRO 7 38.611 4.965 -1.973 43 2HB PRO 7 2HB PRO 7 37.794 3.446 -2.345 44 1HG PRO 7 1HG PRO 7 37.152 4.930 -0.188 45 2HG PRO 7 2HG PRO 7 37.054 3.160 -0.184 46 1HD PRO 7 1HD PRO 7 39.155 4.945 0.982 47 2HD PRO 7 2HD PRO 7 38.458 3.444 1.636 48 H GLU 8 H GLU 8 41.453 4.586 -0.185 49 HA GLU 8 HA GLU 8 42.512 5.967 -2.449 50 1HB GLU 8 1HB GLU 8 42.799 6.042 0.422 51 2HB GLU 8 2HB GLU 8 44.376 6.127 -0.351 52 1HG GLU 8 1HG GLU 8 44.027 8.192 -1.128 53 2HG GLU 8 2HG GLU 8 42.348 7.859 -1.554 54 H CYS 9 H CYS 9 43.596 3.196 -0.514 55 HA CYS 9 HA CYS 9 46.147 2.921 -1.582 56 1HB CYS 9 1HB CYS 9 44.374 0.598 -0.824 57 2HB CYS 9 2HB CYS 9 46.135 0.696 -0.750 58 H GLN 10 H GLN 10 43.087 2.322 -3.049 59 HA GLN 10 HA GLN 10 43.812 0.414 -4.970 60 1HB GLN 10 1HB GLN 10 41.496 1.617 -4.318 61 2HB GLN 10 2HB GLN 10 41.890 2.526 -5.770 62 1HG GLN 10 1HG GLN 10 42.188 -0.368 -6.055 63 2HG GLN 10 2HG GLN 10 40.543 0.163 -5.704 64 1HE2 GLN 10 1HE2 GLN 10 40.315 2.490 -7.003 65 2HE2 GLN 10 2HE2 GLN 10 40.521 2.275 -8.704 66 H GLU 11 H GLU 11 44.328 3.866 -4.801 67 HA GLU 11 HA GLU 11 45.664 3.758 -7.431 68 1HB GLU 11 1HB GLU 11 43.602 5.418 -6.708 69 2HB GLU 11 2HB GLU 11 45.006 6.421 -6.375 70 1HG GLU 11 1HG GLU 11 45.607 5.409 -8.835 71 2HG GLU 11 2HG GLU 11 43.854 5.578 -8.921 72 H ASP 12 H ASP 12 45.842 4.687 -4.093 73 HA ASP 12 HA ASP 12 48.281 6.098 -4.207 74 1HB ASP 12 1HB ASP 12 46.326 5.212 -2.240 75 2HB ASP 12 2HB ASP 12 47.953 5.182 -1.638 76 H ALA 13 H ALA 13 47.405 2.725 -3.657 77 HA ALA 13 HA ALA 13 49.958 1.889 -2.740 78 1HB ALA 13 1HB ALA 13 49.165 -0.360 -3.055 79 2HB ALA 13 2HB ALA 13 47.855 0.206 -4.092 80 3HB ALA 13 3HB ALA 13 47.861 0.615 -2.376 81 H GLY 14 H GLY 14 51.782 1.836 -3.867 82 1HA GLY 14 1HA GLY 14 53.196 1.189 -5.610 83 2HA GLY 14 2HA GLY 14 51.788 0.770 -6.569 84 H ASN 15 H ASN 15 52.582 3.866 -5.029 85 HA ASN 15 HA ASN 15 52.580 5.113 -7.677 86 1HB ASN 15 1HB ASN 15 51.878 7.167 -6.461 87 2HB ASN 15 2HB ASN 15 50.704 5.861 -6.346 88 1HD2 ASN 15 1HD2 ASN 15 49.957 7.171 -4.525 89 2HD2 ASN 15 2HD2 ASN 15 50.694 6.922 -2.978 90 H LYS 16 H LYS 16 54.709 3.922 -5.764 91 HA LYS 16 HA LYS 16 56.888 4.256 -5.356 92 1HB LYS 16 1HB LYS 16 56.881 6.866 -6.799 93 2HB LYS 16 2HB LYS 16 58.111 5.603 -6.778 94 1HG LYS 16 1HG LYS 16 55.522 5.656 -8.296 95 2HG LYS 16 2HG LYS 16 57.162 5.564 -8.919 96 1HD LYS 16 1HD LYS 16 57.085 3.352 -7.355 97 2HD LYS 16 2HD LYS 16 55.410 3.441 -7.905 98 1HE LYS 16 1HE LYS 16 56.572 2.102 -9.479 99 2HE LYS 16 2HE LYS 16 56.307 3.667 -10.246 100 1HZ LYS 16 1HZ LYS 16 58.832 2.848 -8.916 101 2HZ LYS 16 2HZ LYS 16 58.565 4.281 -9.771 102 3HZ LYS 16 3HZ LYS 16 58.564 2.800 -10.586 103 H VAL 17 H VAL 17 54.589 5.828 -3.931 104 HA VAL 17 HA VAL 17 56.241 7.824 -2.565 105 HB VAL 17 HB VAL 17 53.318 7.435 -2.005 106 1HG1 VAL 17 1HG1 VAL 17 53.428 9.470 -1.019 107 2HG1 VAL 17 2HG1 VAL 17 54.577 10.099 -2.199 108 3HG1 VAL 17 3HG1 VAL 17 55.140 9.068 -0.884 109 1HG2 VAL 17 1HG2 VAL 17 53.832 7.630 -4.532 110 2HG2 VAL 17 2HG2 VAL 17 54.258 9.298 -4.158 111 3HG2 VAL 17 3HG2 VAL 17 52.628 8.709 -3.829 112 H CYS 18 H CYS 18 54.191 7.413 -0.250 113 HA CYS 18 HA CYS 18 54.892 4.894 0.881 114 1HB CYS 18 1HB CYS 18 56.980 6.106 1.271 115 2HB CYS 18 2HB CYS 18 56.081 7.418 2.021 116 H SER 19 H SER 19 52.922 4.429 1.536 117 HA SER 19 HA SER 19 51.557 6.292 3.362 118 1HB SER 19 1HB SER 19 50.577 5.073 0.884 119 2HB SER 19 2HB SER 19 49.529 4.753 2.266 120 HG SER 19 HG SER 19 49.706 7.108 2.647 121 H LEU 20 H LEU 20 51.756 5.475 5.263 122 HA LEU 20 HA LEU 20 52.213 2.758 5.873 123 1HB LEU 20 1HB LEU 20 51.308 5.091 7.541 124 2HB LEU 20 2HB LEU 20 51.796 3.539 8.214 125 HG LEU 20 HG LEU 20 53.644 5.058 6.430 126 1HD1 LEU 20 1HD1 LEU 20 53.195 5.555 9.367 127 2HD1 LEU 20 2HD1 LEU 20 53.025 6.710 8.046 128 3HD1 LEU 20 3HD1 LEU 20 54.619 6.092 8.478 129 1HD2 LEU 20 1HD2 LEU 20 54.688 3.097 6.843 130 2HD2 LEU 20 2HD2 LEU 20 53.793 2.810 8.336 131 3HD2 LEU 20 3HD2 LEU 20 55.163 3.921 8.329 132 H GLN 21 H GLN 21 49.364 4.796 5.880 133 HA GLN 21 HA GLN 21 47.626 2.945 7.119 134 1HB GLN 21 1HB GLN 21 45.957 4.484 6.781 135 2HB GLN 21 2HB GLN 21 47.370 5.520 6.661 136 1HG GLN 21 1HG GLN 21 45.832 4.363 4.347 137 2HG GLN 21 2HG GLN 21 45.727 6.020 4.938 138 1HE2 GLN 21 1HE2 GLN 21 46.311 5.589 2.347 139 2HE2 GLN 21 2HE2 GLN 21 47.970 5.969 2.024 140 H CYS 22 H CYS 22 49.103 2.810 4.101 141 HA CYS 22 HA CYS 22 46.985 1.042 3.069 142 1HB CYS 22 1HB CYS 22 48.917 2.868 1.667 143 2HB CYS 22 2HB CYS 22 48.231 1.485 0.829 144 H ASN 23 H ASN 23 50.208 1.338 4.156 145 HA ASN 23 HA ASN 23 51.332 -0.881 2.832 146 1HB ASN 23 1HB ASN 23 52.372 1.233 3.937 147 2HB ASN 23 2HB ASN 23 52.285 0.273 5.409 148 1HD2 ASN 23 1HD2 ASN 23 54.594 1.071 4.762 149 2HD2 ASN 23 2HD2 ASN 23 55.580 -0.180 4.084 150 H ASN 24 H ASN 24 49.072 -1.963 3.697 151 HA ASN 24 HA ASN 24 49.875 -3.488 6.068 152 1HB ASN 24 1HB ASN 24 47.200 -3.959 5.933 153 2HB ASN 24 2HB ASN 24 47.970 -2.823 7.010 154 1HD2 ASN 24 1HD2 ASN 24 48.468 -0.653 5.689 155 2HD2 ASN 24 2HD2 ASN 24 47.067 -0.003 4.901 156 H HIS 25 H HIS 25 48.445 -5.524 6.178 157 HA HIS 25 HA HIS 25 49.287 -7.125 3.937 158 1HB HIS 25 1HB HIS 25 49.657 -7.891 6.198 159 2HB HIS 25 2HB HIS 25 47.938 -7.763 6.558 160 HD1 HIS 25 HD1 HIS 25 48.075 -10.352 7.188 161 HD2 HIS 25 HD2 HIS 25 48.743 -9.422 3.199 162 HE1 HIS 25 HE1 HIS 25 47.854 -12.531 5.948 163 HE2 HIS 25 HE2 HIS 25 48.358 -11.961 3.544 164 H ALA 26 H ALA 26 46.363 -5.785 5.253 165 HA ALA 26 HA ALA 26 44.664 -7.438 3.583 166 1HB ALA 26 1HB ALA 26 42.832 -6.086 4.674 167 2HB ALA 26 2HB ALA 26 44.096 -5.358 5.667 168 3HB ALA 26 3HB ALA 26 43.810 -7.096 5.739 169 H CYS 27 H CYS 27 46.250 -4.386 3.282 170 HA CYS 27 HA CYS 27 44.252 -3.521 1.309 171 1HB CYS 27 1HB CYS 27 46.321 -2.099 2.907 172 2HB CYS 27 2HB CYS 27 45.919 -1.450 1.322 173 H GLY 28 H GLY 28 47.506 -4.662 1.671 174 1HA GLY 28 1HA GLY 28 48.245 -5.845 -0.428 175 2HA GLY 28 2HA GLY 28 47.884 -4.332 -1.246 176 H TRP 29 H TRP 29 49.081 -3.609 1.781 177 HA TRP 29 HA TRP 29 51.027 -2.924 2.586 178 1HB TRP 29 1HB TRP 29 52.142 -4.713 0.413 179 2HB TRP 29 2HB TRP 29 53.144 -3.889 1.601 180 HD1 TRP 29 HD1 TRP 29 51.679 -7.148 1.112 181 HE1 TRP 29 HE1 TRP 29 51.397 -8.352 3.376 182 HE3 TRP 29 HE3 TRP 29 52.227 -3.214 4.229 183 HZ2 TRP 29 HZ2 TRP 29 51.418 -7.722 6.064 184 HZ3 TRP 29 HZ3 TRP 29 52.034 -3.544 6.629 185 HH2 TRP 29 HH2 TRP 29 51.653 -5.788 7.555 186 H ASP 30 H ASP 30 49.619 -1.264 0.974 187 HA ASP 30 HA ASP 30 49.697 0.551 -0.403 188 1HB ASP 30 1HB ASP 30 50.862 1.304 1.641 189 2HB ASP 30 2HB ASP 30 52.390 0.816 0.940 190 H GLY 31 H GLY 31 50.691 -1.928 -1.588 191 1HA GLY 31 1HA GLY 31 51.575 -2.590 -3.594 192 2HA GLY 31 2HA GLY 31 51.639 -0.892 -4.028 193 H GLY 32 H GLY 32 53.395 -1.354 -1.204 194 1HA GLY 32 1HA GLY 32 55.652 -1.865 -0.821 195 2HA GLY 32 2HA GLY 32 55.857 -2.150 -2.547 196 H ASP 33 H ASP 33 54.301 0.658 -1.232 197 HA ASP 33 HA ASP 33 56.201 2.386 -2.564 198 1HB ASP 33 1HB ASP 33 53.542 2.727 -1.244 199 2HB ASP 33 2HB ASP 33 54.549 4.134 -1.535 200 H CYS 34 H CYS 34 54.962 1.877 0.723 201 HA CYS 34 HA CYS 34 56.837 3.742 1.857 202 1HB CYS 34 1HB CYS 34 54.648 2.031 2.845 203 2HB CYS 34 2HB CYS 34 55.985 2.208 3.971 204 H SER 35 H SER 35 56.322 0.243 2.285 205 HA SER 35 HA SER 35 58.982 -0.519 1.818 206 1HB SER 35 1HB SER 35 58.922 0.793 4.171 207 2HB SER 35 2HB SER 35 58.522 -0.830 4.733 208 HG SER 35 HG SER 35 60.888 0.028 4.323 Start of MODEL 14 1 1H GLU 1 1H GLU 1 37.994 -9.812 10.009 2 2H GLU 1 2H GLU 1 37.898 -8.165 9.539 3 3H GLU 1 3H GLU 1 39.420 -8.868 9.903 4 HA GLU 1 HA GLU 1 38.985 -10.447 8.054 5 1HB GLU 1 1HB GLU 1 36.497 -9.252 8.171 6 2HB GLU 1 2HB GLU 1 37.232 -8.482 6.771 7 1HG GLU 1 1HG GLU 1 37.398 -10.465 5.601 8 2HG GLU 1 2HG GLU 1 37.319 -11.451 7.060 9 H GLU 2 H GLU 2 39.717 -9.796 5.831 10 HA GLU 2 HA GLU 2 41.237 -7.272 5.948 11 1HB GLU 2 1HB GLU 2 42.879 -8.504 4.418 12 2HB GLU 2 2HB GLU 2 42.863 -8.960 6.116 13 1HG GLU 2 1HG GLU 2 42.208 -11.046 5.673 14 2HG GLU 2 2HG GLU 2 41.042 -10.526 4.456 15 H ALA 3 H ALA 3 39.913 -5.985 4.745 16 HA ALA 3 HA ALA 3 39.704 -6.655 1.910 17 1HB ALA 3 1HB ALA 3 37.446 -6.505 1.748 18 2HB ALA 3 2HB ALA 3 37.319 -5.363 3.086 19 3HB ALA 3 3HB ALA 3 37.541 -7.082 3.412 20 H CYS 4 H CYS 4 41.130 -4.724 3.824 21 HA CYS 4 HA CYS 4 41.943 -2.601 3.697 22 1HB CYS 4 1HB CYS 4 42.165 -3.376 1.306 23 2HB CYS 4 2HB CYS 4 40.662 -2.540 0.968 24 H GLU 5 H GLU 5 41.296 -0.536 4.255 25 HA GLU 5 HA GLU 5 38.412 -0.004 4.115 26 1HB GLU 5 1HB GLU 5 38.559 1.136 6.261 27 2HB GLU 5 2HB GLU 5 39.127 -0.520 6.413 28 1HG GLU 5 1HG GLU 5 41.179 1.517 5.832 29 2HG GLU 5 2HG GLU 5 40.422 1.593 7.422 30 H LEU 6 H LEU 6 40.950 0.807 2.538 31 HA LEU 6 HA LEU 6 40.245 3.655 2.419 32 1HB LEU 6 1HB LEU 6 42.958 2.406 2.592 33 2HB LEU 6 2HB LEU 6 42.739 3.947 1.783 34 HG LEU 6 HG LEU 6 42.002 3.392 4.658 35 1HD1 LEU 6 1HD1 LEU 6 44.522 3.540 3.751 36 2HD1 LEU 6 2HD1 LEU 6 44.019 4.147 5.330 37 3HD1 LEU 6 3HD1 LEU 6 44.180 5.257 3.968 38 1HD2 LEU 6 1HD2 LEU 6 40.613 5.122 3.823 39 2HD2 LEU 6 2HD2 LEU 6 41.955 5.881 2.967 40 3HD2 LEU 6 3HD2 LEU 6 41.906 5.908 4.730 41 HA PRO 7 HA PRO 7 39.640 2.212 -1.802 42 1HB PRO 7 1HB PRO 7 38.514 4.904 -2.139 43 2HB PRO 7 2HB PRO 7 37.742 3.335 -2.375 44 1HG PRO 7 1HG PRO 7 37.105 4.959 -0.316 45 2HG PRO 7 2HG PRO 7 37.057 3.191 -0.183 46 1HD PRO 7 1HD PRO 7 39.133 5.112 0.798 47 2HD PRO 7 2HD PRO 7 38.495 3.644 1.576 48 H GLU 8 H GLU 8 41.406 4.745 -0.387 49 HA GLU 8 HA GLU 8 42.378 5.968 -2.791 50 1HB GLU 8 1HB GLU 8 44.073 6.992 -1.245 51 2HB GLU 8 2HB GLU 8 42.397 7.293 -0.809 52 1HG GLU 8 1HG GLU 8 42.481 5.746 0.970 53 2HG GLU 8 2HG GLU 8 44.020 5.087 0.419 54 H CYS 9 H CYS 9 43.577 3.462 -0.590 55 HA CYS 9 HA CYS 9 46.151 3.180 -1.529 56 1HB CYS 9 1HB CYS 9 44.331 0.911 -0.713 57 2HB CYS 9 2HB CYS 9 46.093 0.930 -0.664 58 H GLN 10 H GLN 10 43.188 2.351 -3.113 59 HA GLN 10 HA GLN 10 44.094 0.409 -4.908 60 1HB GLN 10 1HB GLN 10 41.708 1.687 -4.447 61 2HB GLN 10 2HB GLN 10 42.158 2.312 -6.027 62 1HG GLN 10 1HG GLN 10 42.491 -0.576 -5.766 63 2HG GLN 10 2HG GLN 10 40.829 -0.023 -5.559 64 1HE2 GLN 10 1HE2 GLN 10 43.537 -0.224 -7.737 65 2HE2 GLN 10 2HE2 GLN 10 42.658 0.128 -9.182 66 H GLU 11 H GLU 11 44.445 3.887 -4.893 67 HA GLU 11 HA GLU 11 45.935 3.715 -7.434 68 1HB GLU 11 1HB GLU 11 44.589 6.156 -6.261 69 2HB GLU 11 2HB GLU 11 45.397 6.054 -7.819 70 1HG GLU 11 1HG GLU 11 42.968 4.444 -7.084 71 2HG GLU 11 2HG GLU 11 42.910 5.996 -7.919 72 H ASP 12 H ASP 12 45.869 4.816 -4.147 73 HA ASP 12 HA ASP 12 48.251 6.321 -4.180 74 1HB ASP 12 1HB ASP 12 46.209 5.447 -2.299 75 2HB ASP 12 2HB ASP 12 47.792 5.512 -1.592 76 H ALA 13 H ALA 13 47.675 2.981 -4.297 77 HA ALA 13 HA ALA 13 50.132 2.257 -2.912 78 1HB ALA 13 1HB ALA 13 49.470 -0.056 -3.377 79 2HB ALA 13 2HB ALA 13 48.102 0.528 -4.324 80 3HB ALA 13 3HB ALA 13 48.174 0.844 -2.590 81 H GLY 14 H GLY 14 51.953 1.400 -3.898 82 1HA GLY 14 1HA GLY 14 53.477 1.026 -5.588 83 2HA GLY 14 2HA GLY 14 52.107 0.709 -6.638 84 H ASN 15 H ASN 15 52.974 3.711 -4.946 85 HA ASN 15 HA ASN 15 53.187 5.031 -7.549 86 1HB ASN 15 1HB ASN 15 52.454 7.073 -6.280 87 2HB ASN 15 2HB ASN 15 51.235 5.812 -6.420 88 1HD2 ASN 15 1HD2 ASN 15 50.452 7.259 -4.607 89 2HD2 ASN 15 2HD2 ASN 15 50.896 6.767 -3.009 90 H LYS 16 H LYS 16 55.145 3.755 -5.513 91 HA LYS 16 HA LYS 16 57.283 4.058 -4.900 92 1HB LYS 16 1HB LYS 16 57.448 6.665 -6.333 93 2HB LYS 16 2HB LYS 16 58.639 5.369 -6.226 94 1HG LYS 16 1HG LYS 16 56.168 5.489 -7.930 95 2HG LYS 16 2HG LYS 16 57.848 5.379 -8.439 96 1HD LYS 16 1HD LYS 16 57.609 3.155 -6.892 97 2HD LYS 16 2HD LYS 16 55.994 3.274 -7.594 98 1HE LYS 16 1HE LYS 16 58.406 3.552 -9.338 99 2HE LYS 16 2HE LYS 16 57.866 1.950 -8.836 100 1HZ LYS 16 1HZ LYS 16 56.965 3.179 -11.006 101 2HZ LYS 16 2HZ LYS 16 55.816 3.720 -9.890 102 3HZ LYS 16 3HZ LYS 16 56.044 2.061 -10.132 103 H VAL 17 H VAL 17 54.902 5.702 -3.675 104 HA VAL 17 HA VAL 17 56.465 7.692 -2.205 105 HB VAL 17 HB VAL 17 53.534 7.268 -1.740 106 1HG1 VAL 17 1HG1 VAL 17 55.303 8.974 -0.644 107 2HG1 VAL 17 2HG1 VAL 17 53.587 9.336 -0.826 108 3HG1 VAL 17 3HG1 VAL 17 54.748 9.946 -2.006 109 1HG2 VAL 17 1HG2 VAL 17 52.863 8.476 -3.621 110 2HG2 VAL 17 2HG2 VAL 17 54.081 7.376 -4.259 111 3HG2 VAL 17 3HG2 VAL 17 54.493 9.059 -3.947 112 H CYS 18 H CYS 18 54.364 7.288 0.043 113 HA CYS 18 HA CYS 18 54.961 4.740 1.153 114 1HB CYS 18 1HB CYS 18 57.092 5.879 1.586 115 2HB CYS 18 2HB CYS 18 56.225 7.179 2.394 116 H SER 19 H SER 19 52.975 4.340 1.764 117 HA SER 19 HA SER 19 51.668 6.183 3.647 118 1HB SER 19 1HB SER 19 49.545 4.891 2.501 119 2HB SER 19 2HB SER 19 50.109 6.491 2.016 120 HG SER 19 HG SER 19 50.002 4.309 0.546 121 H LEU 20 H LEU 20 51.809 5.250 5.502 122 HA LEU 20 HA LEU 20 52.120 2.484 5.962 123 1HB LEU 20 1HB LEU 20 51.300 4.759 7.752 124 2HB LEU 20 2HB LEU 20 51.706 3.151 8.339 125 HG LEU 20 HG LEU 20 53.651 4.671 6.666 126 1HD1 LEU 20 1HD1 LEU 20 52.860 5.256 9.465 127 2HD1 LEU 20 2HD1 LEU 20 53.448 6.339 8.203 128 3HD1 LEU 20 3HD1 LEU 20 54.578 5.298 9.068 129 1HD2 LEU 20 1HD2 LEU 20 53.981 2.265 7.263 130 2HD2 LEU 20 2HD2 LEU 20 54.081 2.759 8.953 131 3HD2 LEU 20 3HD2 LEU 20 55.278 3.335 7.793 132 H GLN 21 H GLN 21 49.388 4.645 5.949 133 HA GLN 21 HA GLN 21 47.516 2.834 7.079 134 1HB GLN 21 1HB GLN 21 46.021 4.551 5.462 135 2HB GLN 21 2HB GLN 21 46.330 4.718 7.180 136 1HG GLN 21 1HG GLN 21 46.825 6.783 6.103 137 2HG GLN 21 2HG GLN 21 48.337 6.061 6.646 138 1HE2 GLN 21 1HE2 GLN 21 46.330 5.474 3.781 139 2HE2 GLN 21 2HE2 GLN 21 47.577 5.814 2.627 140 H CYS 22 H CYS 22 49.111 2.703 4.150 141 HA CYS 22 HA CYS 22 46.936 1.117 2.954 142 1HB CYS 22 1HB CYS 22 49.036 2.871 1.695 143 2HB CYS 22 2HB CYS 22 48.251 1.592 0.776 144 H ASN 23 H ASN 23 50.120 1.189 4.177 145 HA ASN 23 HA ASN 23 51.181 -1.025 2.786 146 1HB ASN 23 1HB ASN 23 52.270 1.002 4.025 147 2HB ASN 23 2HB ASN 23 52.130 -0.045 5.431 148 1HD2 ASN 23 1HD2 ASN 23 54.475 0.756 4.776 149 2HD2 ASN 23 2HD2 ASN 23 55.420 -0.507 4.064 150 H ASN 24 H ASN 24 48.835 -2.017 3.571 151 HA ASN 24 HA ASN 24 49.530 -3.679 5.883 152 1HB ASN 24 1HB ASN 24 46.838 -4.004 5.709 153 2HB ASN 24 2HB ASN 24 47.654 -2.952 6.835 154 1HD2 ASN 24 1HD2 ASN 24 48.273 -0.757 5.600 155 2HD2 ASN 24 2HD2 ASN 24 46.913 -0.010 4.828 156 H HIS 25 H HIS 25 47.990 -5.638 5.892 157 HA HIS 25 HA HIS 25 48.779 -7.189 3.599 158 1HB HIS 25 1HB HIS 25 49.078 -8.059 5.833 159 2HB HIS 25 2HB HIS 25 47.362 -7.855 6.178 160 HD1 HIS 25 HD1 HIS 25 47.347 -10.465 6.710 161 HD2 HIS 25 HD2 HIS 25 48.138 -9.433 2.770 162 HE1 HIS 25 HE1 HIS 25 47.035 -12.585 5.390 163 HE2 HIS 25 HE2 HIS 25 47.431 -11.916 2.991 164 H ALA 26 H ALA 26 45.906 -5.763 4.941 165 HA ALA 26 HA ALA 26 44.150 -7.251 3.178 166 1HB ALA 26 1HB ALA 26 42.342 -6.203 4.348 167 2HB ALA 26 2HB ALA 26 43.450 -5.078 5.134 168 3HB ALA 26 3HB ALA 26 43.521 -6.799 5.517 169 H CYS 27 H CYS 27 45.895 -4.282 3.015 170 HA CYS 27 HA CYS 27 43.953 -3.227 1.075 171 1HB CYS 27 1HB CYS 27 46.074 -1.978 2.752 172 2HB CYS 27 2HB CYS 27 45.692 -1.231 1.205 173 H GLY 28 H GLY 28 47.155 -4.523 1.405 174 1HA GLY 28 1HA GLY 28 47.848 -5.631 -0.757 175 2HA GLY 28 2HA GLY 28 47.578 -4.053 -1.486 176 H TRP 29 H TRP 29 48.783 -3.588 1.589 177 HA TRP 29 HA TRP 29 50.757 -3.051 2.444 178 1HB TRP 29 1HB TRP 29 51.777 -4.801 0.196 179 2HB TRP 29 2HB TRP 29 52.826 -4.086 1.417 180 HD1 TRP 29 HD1 TRP 29 51.182 -7.235 0.799 181 HE1 TRP 29 HE1 TRP 29 50.816 -8.505 3.016 182 HE3 TRP 29 HE3 TRP 29 51.925 -3.456 4.063 183 HZ2 TRP 29 HZ2 TRP 29 50.851 -7.976 5.726 184 HZ3 TRP 29 HZ3 TRP 29 51.698 -3.862 6.447 185 HH2 TRP 29 HH2 TRP 29 51.185 -6.115 7.289 186 H ASP 30 H ASP 30 49.457 -1.254 0.839 187 HA ASP 30 HA ASP 30 49.676 0.630 -0.415 188 1HB ASP 30 1HB ASP 30 50.858 1.242 1.652 189 2HB ASP 30 2HB ASP 30 52.356 0.636 0.983 190 H GLY 31 H GLY 31 50.602 -1.897 -1.669 191 1HA GLY 31 1HA GLY 31 51.442 -2.495 -3.717 192 2HA GLY 31 2HA GLY 31 51.616 -0.784 -4.065 193 H GLY 32 H GLY 32 53.337 -1.136 -1.314 194 1HA GLY 32 1HA GLY 32 55.541 -1.939 -0.904 195 2HA GLY 32 2HA GLY 32 55.752 -2.144 -2.640 196 H ASP 33 H ASP 33 54.333 0.707 -1.240 197 HA ASP 33 HA ASP 33 56.410 2.337 -2.420 198 1HB ASP 33 1HB ASP 33 53.969 3.232 -0.888 199 2HB ASP 33 2HB ASP 33 54.942 4.174 -2.004 200 H CYS 34 H CYS 34 55.000 1.740 0.784 201 HA CYS 34 HA CYS 34 56.898 3.480 2.075 202 1HB CYS 34 1HB CYS 34 54.624 1.801 2.912 203 2HB CYS 34 2HB CYS 34 55.931 1.874 4.082 204 H SER 35 H SER 35 56.258 -0.019 2.321 205 HA SER 35 HA SER 35 57.613 -1.808 2.696 206 1HB SER 35 1HB SER 35 58.709 -0.850 0.609 207 2HB SER 35 2HB SER 35 59.897 -0.112 1.683 208 HG SER 35 HG SER 35 60.671 -2.099 0.993 Start of MODEL 15 1 1H GLU 1 1H GLU 1 37.745 -5.867 7.500 2 2H GLU 1 2H GLU 1 38.656 -6.052 8.942 3 3H GLU 1 3H GLU 1 37.057 -6.668 8.850 4 HA GLU 1 HA GLU 1 38.829 -8.337 8.666 5 1HB GLU 1 1HB GLU 1 36.394 -8.282 7.649 6 2HB GLU 1 2HB GLU 1 37.260 -8.238 6.120 7 1HG GLU 1 1HG GLU 1 37.992 -10.371 6.309 8 2HG GLU 1 2HG GLU 1 38.094 -10.297 8.068 9 H GLU 2 H GLU 2 39.876 -9.527 6.673 10 HA GLU 2 HA GLU 2 41.964 -7.800 5.745 11 1HB GLU 2 1HB GLU 2 41.895 -10.421 6.329 12 2HB GLU 2 2HB GLU 2 41.665 -10.517 4.589 13 1HG GLU 2 1HG GLU 2 43.943 -10.665 4.767 14 2HG GLU 2 2HG GLU 2 43.722 -8.937 4.495 15 H ALA 3 H ALA 3 40.137 -6.460 4.655 16 HA ALA 3 HA ALA 3 40.178 -7.162 1.822 17 1HB ALA 3 1HB ALA 3 37.936 -7.163 1.496 18 2HB ALA 3 2HB ALA 3 37.642 -5.992 2.782 19 3HB ALA 3 3HB ALA 3 37.932 -7.686 3.180 20 H CYS 4 H CYS 4 41.365 -5.147 3.797 21 HA CYS 4 HA CYS 4 42.065 -2.985 3.706 22 1HB CYS 4 1HB CYS 4 42.489 -3.750 1.347 23 2HB CYS 4 2HB CYS 4 40.962 -3.015 0.901 24 H GLU 5 H GLU 5 41.262 -1.006 4.293 25 HA GLU 5 HA GLU 5 38.389 -0.574 3.887 26 1HB GLU 5 1HB GLU 5 38.303 0.522 6.072 27 2HB GLU 5 2HB GLU 5 38.868 -1.136 6.225 28 1HG GLU 5 1HG GLU 5 41.229 0.059 6.029 29 2HG GLU 5 2HG GLU 5 40.303 1.413 6.678 30 H LEU 6 H LEU 6 41.039 0.362 2.595 31 HA LEU 6 HA LEU 6 40.361 3.225 2.622 32 1HB LEU 6 1HB LEU 6 42.977 1.828 2.739 33 2HB LEU 6 2HB LEU 6 42.889 3.310 1.806 34 HG LEU 6 HG LEU 6 41.840 4.328 3.950 35 1HD1 LEU 6 1HD1 LEU 6 43.146 3.049 5.904 36 2HD1 LEU 6 2HD1 LEU 6 42.763 1.677 4.865 37 3HD1 LEU 6 3HD1 LEU 6 41.468 2.706 5.479 38 1HD2 LEU 6 1HD2 LEU 6 44.006 4.979 4.730 39 2HD2 LEU 6 2HD2 LEU 6 44.074 4.841 2.973 40 3HD2 LEU 6 3HD2 LEU 6 44.755 3.567 3.984 41 HA PRO 7 HA PRO 7 39.534 2.109 -1.652 42 1HB PRO 7 1HB PRO 7 38.249 4.436 -2.235 43 2HB PRO 7 2HB PRO 7 37.458 3.079 -1.425 44 1HG PRO 7 1HG PRO 7 38.570 5.595 -0.262 45 2HG PRO 7 2HG PRO 7 37.083 4.726 0.157 46 1HD PRO 7 1HD PRO 7 39.373 4.556 1.622 47 2HD PRO 7 2HD PRO 7 38.192 3.236 1.520 48 H GLU 8 H GLU 8 41.448 4.458 -0.156 49 HA GLU 8 HA GLU 8 42.295 5.811 -2.563 50 1HB GLU 8 1HB GLU 8 44.020 6.826 -1.046 51 2HB GLU 8 2HB GLU 8 42.353 7.111 -0.571 52 1HG GLU 8 1HG GLU 8 43.526 4.730 0.637 53 2HG GLU 8 2HG GLU 8 44.348 6.227 1.065 54 H CYS 9 H CYS 9 43.536 3.230 -0.480 55 HA CYS 9 HA CYS 9 46.100 3.008 -1.485 56 1HB CYS 9 1HB CYS 9 44.331 0.683 -0.713 57 2HB CYS 9 2HB CYS 9 46.093 0.747 -0.673 58 H GLN 10 H GLN 10 43.100 2.226 -3.017 59 HA GLN 10 HA GLN 10 43.958 0.341 -4.895 60 1HB GLN 10 1HB GLN 10 41.881 2.480 -5.371 61 2HB GLN 10 2HB GLN 10 41.998 0.915 -6.164 62 1HG GLN 10 1HG GLN 10 41.845 0.536 -3.337 63 2HG GLN 10 2HG GLN 10 40.537 1.594 -3.862 64 1HE2 GLN 10 1HE2 GLN 10 39.750 0.707 -6.199 65 2HE2 GLN 10 2HE2 GLN 10 39.244 -0.943 -6.136 66 H GLU 11 H GLU 11 44.307 3.819 -4.787 67 HA GLU 11 HA GLU 11 45.734 3.719 -7.369 68 1HB GLU 11 1HB GLU 11 43.995 5.822 -6.133 69 2HB GLU 11 2HB GLU 11 45.279 6.303 -7.234 70 1HG GLU 11 1HG GLU 11 44.167 4.419 -8.736 71 2HG GLU 11 2HG GLU 11 42.757 4.850 -7.770 72 H ASP 12 H ASP 12 45.755 4.724 -4.051 73 HA ASP 12 HA ASP 12 48.119 6.254 -4.104 74 1HB ASP 12 1HB ASP 12 46.151 5.281 -2.192 75 2HB ASP 12 2HB ASP 12 47.755 5.343 -1.536 76 H ALA 13 H ALA 13 47.450 2.846 -3.887 77 HA ALA 13 HA ALA 13 49.996 2.132 -2.765 78 1HB ALA 13 1HB ALA 13 48.047 0.701 -2.437 79 2HB ALA 13 2HB ALA 13 49.340 -0.172 -3.261 80 3HB ALA 13 3HB ALA 13 47.953 0.418 -4.175 81 H GLY 14 H GLY 14 51.874 2.007 -3.806 82 1HA GLY 14 1HA GLY 14 53.364 1.511 -5.523 83 2HA GLY 14 2HA GLY 14 52.000 1.092 -6.548 84 H ASN 15 H ASN 15 52.636 4.148 -4.863 85 HA ASN 15 HA ASN 15 52.695 5.498 -7.459 86 1HB ASN 15 1HB ASN 15 51.900 7.485 -6.176 87 2HB ASN 15 2HB ASN 15 50.756 6.149 -6.179 88 1HD2 ASN 15 1HD2 ASN 15 49.921 7.399 -4.335 89 2HD2 ASN 15 2HD2 ASN 15 50.579 7.066 -2.769 90 H LYS 16 H LYS 16 54.794 4.283 -5.543 91 HA LYS 16 HA LYS 16 56.948 4.657 -5.050 92 1HB LYS 16 1HB LYS 16 56.909 7.331 -6.367 93 2HB LYS 16 2HB LYS 16 58.174 6.104 -6.368 94 1HG LYS 16 1HG LYS 16 55.631 6.155 -7.962 95 2HG LYS 16 2HG LYS 16 57.291 6.144 -8.538 96 1HD LYS 16 1HD LYS 16 57.268 3.857 -7.112 97 2HD LYS 16 2HD LYS 16 55.585 3.920 -7.643 98 1HE LYS 16 1HE LYS 16 56.659 4.450 -9.972 99 2HE LYS 16 2HE LYS 16 58.084 3.692 -9.261 100 1HZ LYS 16 1HZ LYS 16 57.130 1.667 -9.286 101 2HZ LYS 16 2HZ LYS 16 56.193 2.334 -10.526 102 3HZ LYS 16 3HZ LYS 16 55.577 2.253 -8.953 103 H VAL 17 H VAL 17 54.565 6.093 -3.626 104 HA VAL 17 HA VAL 17 56.109 8.074 -2.124 105 HB VAL 17 HB VAL 17 53.190 7.544 -1.661 106 1HG1 VAL 17 1HG1 VAL 17 54.335 10.264 -1.679 107 2HG1 VAL 17 2HG1 VAL 17 54.923 9.189 -0.412 108 3HG1 VAL 17 3HG1 VAL 17 53.197 9.517 -0.557 109 1HG2 VAL 17 1HG2 VAL 17 54.129 9.542 -3.692 110 2HG2 VAL 17 2HG2 VAL 17 52.506 8.906 -3.431 111 3HG2 VAL 17 3HG2 VAL 17 53.747 7.885 -4.154 112 H CYS 18 H CYS 18 54.038 7.481 0.126 113 HA CYS 18 HA CYS 18 54.771 4.933 1.150 114 1HB CYS 18 1HB CYS 18 56.851 6.128 1.609 115 2HB CYS 18 2HB CYS 18 55.945 7.409 2.403 116 H SER 19 H SER 19 52.803 4.431 1.774 117 HA SER 19 HA SER 19 51.439 6.186 3.703 118 1HB SER 19 1HB SER 19 49.378 4.775 2.543 119 2HB SER 19 2HB SER 19 49.820 6.433 2.134 120 HG SER 19 HG SER 19 50.690 5.770 0.307 121 H LEU 20 H LEU 20 51.640 5.243 5.548 122 HA LEU 20 HA LEU 20 52.083 2.495 5.987 123 1HB LEU 20 1HB LEU 20 51.152 4.716 7.791 124 2HB LEU 20 2HB LEU 20 51.623 3.123 8.369 125 HG LEU 20 HG LEU 20 53.506 4.753 6.724 126 1HD1 LEU 20 1HD1 LEU 20 52.457 5.904 8.895 127 2HD1 LEU 20 2HD1 LEU 20 54.139 6.121 8.413 128 3HD1 LEU 20 3HD1 LEU 20 53.725 4.950 9.665 129 1HD2 LEU 20 1HD2 LEU 20 53.626 2.390 8.496 130 2HD2 LEU 20 2HD2 LEU 20 55.005 3.488 8.540 131 3HD2 LEU 20 3HD2 LEU 20 54.516 2.746 7.016 132 H GLN 21 H GLN 21 49.252 4.522 6.005 133 HA GLN 21 HA GLN 21 47.456 2.629 7.109 134 1HB GLN 21 1HB GLN 21 45.925 4.282 5.433 135 2HB GLN 21 2HB GLN 21 46.150 4.432 7.165 136 1HG GLN 21 1HG GLN 21 46.600 6.537 6.156 137 2HG GLN 21 2HG GLN 21 48.123 5.869 6.735 138 1HE2 GLN 21 1HE2 GLN 21 46.234 5.278 3.791 139 2HE2 GLN 21 2HE2 GLN 21 47.505 5.691 2.687 140 H CYS 22 H CYS 22 49.068 2.587 4.173 141 HA CYS 22 HA CYS 22 46.991 0.873 2.983 142 1HB CYS 22 1HB CYS 22 48.994 2.730 1.710 143 2HB CYS 22 2HB CYS 22 48.235 1.430 0.798 144 H ASN 23 H ASN 23 50.166 1.114 4.206 145 HA ASN 23 HA ASN 23 51.351 -1.023 2.794 146 1HB ASN 23 1HB ASN 23 52.332 1.047 4.035 147 2HB ASN 23 2HB ASN 23 52.231 0.004 5.448 148 1HD2 ASN 23 1HD2 ASN 23 54.539 0.905 4.838 149 2HD2 ASN 23 2HD2 ASN 23 55.556 -0.306 4.135 150 H ASN 24 H ASN 24 49.049 -2.134 3.584 151 HA ASN 24 HA ASN 24 49.839 -3.791 5.869 152 1HB ASN 24 1HB ASN 24 47.162 -4.238 5.706 153 2HB ASN 24 2HB ASN 24 47.937 -3.163 6.840 154 1HD2 ASN 24 1HD2 ASN 24 48.446 -0.931 5.643 155 2HD2 ASN 24 2HD2 ASN 24 47.052 -0.234 4.885 156 H HIS 25 H HIS 25 48.394 -5.818 5.868 157 HA HIS 25 HA HIS 25 49.227 -7.309 3.548 158 1HB HIS 25 1HB HIS 25 49.588 -8.190 5.771 159 2HB HIS 25 2HB HIS 25 47.868 -8.069 6.132 160 HD1 HIS 25 HD1 HIS 25 47.997 -10.688 6.632 161 HD2 HIS 25 HD2 HIS 25 48.661 -9.561 2.695 162 HE1 HIS 25 HE1 HIS 25 47.761 -12.800 5.285 163 HE2 HIS 25 HE2 HIS 25 48.071 -12.076 2.890 164 H ALA 26 H ALA 26 46.317 -6.006 4.928 165 HA ALA 26 HA ALA 26 44.597 -7.558 3.185 166 1HB ALA 26 1HB ALA 26 42.764 -6.435 4.353 167 2HB ALA 26 2HB ALA 26 43.937 -5.461 5.238 168 3HB ALA 26 3HB ALA 26 43.892 -7.210 5.467 169 H CYS 27 H CYS 27 46.211 -4.506 3.027 170 HA CYS 27 HA CYS 27 44.215 -3.540 1.100 171 1HB CYS 27 1HB CYS 27 46.290 -2.198 2.763 172 2HB CYS 27 2HB CYS 27 45.858 -1.465 1.223 173 H GLY 28 H GLY 28 47.474 -4.697 1.399 174 1HA GLY 28 1HA GLY 28 48.196 -5.760 -0.776 175 2HA GLY 28 2HA GLY 28 47.852 -4.193 -1.493 176 H TRP 29 H TRP 29 49.058 -3.688 1.573 177 HA TRP 29 HA TRP 29 51.012 -3.074 2.420 178 1HB TRP 29 1HB TRP 29 52.097 -4.755 0.151 179 2HB TRP 29 2HB TRP 29 53.119 -4.005 1.373 180 HD1 TRP 29 HD1 TRP 29 51.616 -7.217 0.732 181 HE1 TRP 29 HE1 TRP 29 51.322 -8.525 2.936 182 HE3 TRP 29 HE3 TRP 29 52.203 -3.442 4.034 183 HZ2 TRP 29 HZ2 TRP 29 51.348 -8.025 5.650 184 HZ3 TRP 29 HZ3 TRP 29 52.008 -3.884 6.415 185 HH2 TRP 29 HH2 TRP 29 51.603 -6.168 7.233 186 H ASP 30 H ASP 30 49.610 -1.346 0.802 187 HA ASP 30 HA ASP 30 49.735 0.551 -0.451 188 1HB ASP 30 1HB ASP 30 50.855 1.189 1.660 189 2HB ASP 30 2HB ASP 30 52.397 0.741 0.966 190 H GLY 31 H GLY 31 50.798 -1.887 -1.713 191 1HA GLY 31 1HA GLY 31 51.742 -2.452 -3.720 192 2HA GLY 31 2HA GLY 31 51.774 -0.738 -4.089 193 H GLY 32 H GLY 32 53.484 -1.243 -1.249 194 1HA GLY 32 1HA GLY 32 55.745 -1.728 -0.839 195 2HA GLY 32 2HA GLY 32 55.990 -1.937 -2.569 196 H ASP 33 H ASP 33 54.349 0.781 -1.157 197 HA ASP 33 HA ASP 33 56.239 2.601 -2.382 198 1HB ASP 33 1HB ASP 33 53.545 2.836 -1.115 199 2HB ASP 33 2HB ASP 33 54.533 4.273 -1.312 200 H CYS 34 H CYS 34 54.953 1.909 0.851 201 HA CYS 34 HA CYS 34 56.754 3.772 2.105 202 1HB CYS 34 1HB CYS 34 54.594 1.961 2.973 203 2HB CYS 34 2HB CYS 34 55.906 2.118 4.131 204 H SER 35 H SER 35 56.329 0.245 2.376 205 HA SER 35 HA SER 35 59.017 -0.423 1.918 206 1HB SER 35 1HB SER 35 59.786 -0.968 4.171 207 2HB SER 35 2HB SER 35 59.384 0.746 4.072 208 HG SER 35 HG SER 35 57.699 -1.291 5.110 Start of MODEL 16 1 1H GLU 1 1H GLU 1 37.779 -10.084 9.241 2 2H GLU 1 2H GLU 1 39.457 -9.941 9.573 3 3H GLU 1 3H GLU 1 38.918 -10.242 7.971 4 HA GLU 1 HA GLU 1 37.717 -8.103 8.085 5 1HB GLU 1 1HB GLU 1 38.480 -6.531 9.800 6 2HB GLU 1 2HB GLU 1 37.732 -7.943 10.534 7 1HG GLU 1 1HG GLU 1 40.621 -8.185 10.184 8 2HG GLU 1 2HG GLU 1 40.133 -6.867 11.247 9 H GLU 2 H GLU 2 39.397 -9.155 6.365 10 HA GLU 2 HA GLU 2 41.562 -7.173 6.144 11 1HB GLU 2 1HB GLU 2 42.893 -8.961 4.967 12 2HB GLU 2 2HB GLU 2 42.664 -9.212 6.692 13 1HG GLU 2 1HG GLU 2 41.421 -11.065 6.397 14 2HG GLU 2 2HG GLU 2 40.651 -10.450 4.936 15 H ALA 3 H ALA 3 39.979 -5.988 4.881 16 HA ALA 3 HA ALA 3 40.019 -6.841 2.087 17 1HB ALA 3 1HB ALA 3 37.789 -7.368 3.341 18 2HB ALA 3 2HB ALA 3 37.753 -6.671 1.722 19 3HB ALA 3 3HB ALA 3 37.497 -5.642 3.132 20 H CYS 4 H CYS 4 41.227 -4.743 3.958 21 HA CYS 4 HA CYS 4 41.958 -2.599 3.762 22 1HB CYS 4 1HB CYS 4 42.378 -3.508 1.447 23 2HB CYS 4 2HB CYS 4 40.880 -2.746 0.953 24 H GLU 5 H GLU 5 41.176 -0.597 4.267 25 HA GLU 5 HA GLU 5 38.317 -0.129 3.785 26 1HB GLU 5 1HB GLU 5 38.352 1.191 5.929 27 2HB GLU 5 2HB GLU 5 38.558 -0.544 6.120 28 1HG GLU 5 1HG GLU 5 40.744 -0.359 6.763 29 2HG GLU 5 2HG GLU 5 40.982 1.162 5.904 30 H LEU 6 H LEU 6 40.989 0.713 2.486 31 HA LEU 6 HA LEU 6 40.356 3.587 2.396 32 1HB LEU 6 1HB LEU 6 42.950 2.170 2.635 33 2HB LEU 6 2HB LEU 6 42.903 3.604 1.624 34 HG LEU 6 HG LEU 6 41.697 4.584 3.817 35 1HD1 LEU 6 1HD1 LEU 6 43.796 3.022 5.176 36 2HD1 LEU 6 2HD1 LEU 6 42.318 2.151 4.767 37 3HD1 LEU 6 3HD1 LEU 6 42.239 3.598 5.772 38 1HD2 LEU 6 1HD2 LEU 6 43.463 5.805 2.996 39 2HD2 LEU 6 2HD2 LEU 6 44.558 4.423 2.994 40 3HD2 LEU 6 3HD2 LEU 6 44.136 5.211 4.514 41 HA PRO 7 HA PRO 7 39.562 2.334 -1.852 42 1HB PRO 7 1HB PRO 7 38.580 5.095 -2.069 43 2HB PRO 7 2HB PRO 7 37.714 3.580 -2.329 44 1HG PRO 7 1HG PRO 7 37.229 5.170 -0.203 45 2HG PRO 7 2HG PRO 7 37.084 3.404 -0.124 46 1HD PRO 7 1HD PRO 7 39.296 5.169 0.852 47 2HD PRO 7 2HD PRO 7 38.594 3.718 1.604 48 H GLU 8 H GLU 8 41.539 4.676 -0.405 49 HA GLU 8 HA GLU 8 42.511 5.902 -2.826 50 1HB GLU 8 1HB GLU 8 44.124 5.990 -0.332 51 2HB GLU 8 2HB GLU 8 43.766 7.269 -1.482 52 1HG GLU 8 1HG GLU 8 41.310 6.791 -0.423 53 2HG GLU 8 2HG GLU 8 42.362 6.473 0.955 54 H CYS 9 H CYS 9 43.620 3.362 -0.621 55 HA CYS 9 HA CYS 9 46.169 2.973 -1.591 56 1HB CYS 9 1HB CYS 9 44.300 0.763 -0.728 57 2HB CYS 9 2HB CYS 9 46.062 0.761 -0.667 58 H GLN 10 H GLN 10 43.156 2.248 -3.124 59 HA GLN 10 HA GLN 10 43.979 0.238 -4.896 60 1HB GLN 10 1HB GLN 10 41.649 1.736 -4.446 61 2HB GLN 10 2HB GLN 10 42.076 2.035 -6.126 62 1HG GLN 10 1HG GLN 10 42.233 -0.774 -5.318 63 2HG GLN 10 2HG GLN 10 40.619 -0.073 -5.234 64 1HE2 GLN 10 1HE2 GLN 10 40.505 1.602 -7.305 65 2HE2 GLN 10 2HE2 GLN 10 40.723 0.764 -8.800 66 H GLU 11 H GLU 11 44.419 3.705 -4.943 67 HA GLU 11 HA GLU 11 45.828 3.454 -7.525 68 1HB GLU 11 1HB GLU 11 44.362 5.810 -6.331 69 2HB GLU 11 2HB GLU 11 45.424 5.941 -7.726 70 1HG GLU 11 1HG GLU 11 43.966 4.199 -8.834 71 2HG GLU 11 2HG GLU 11 42.834 4.441 -7.503 72 H ASP 12 H ASP 12 45.896 4.606 -4.255 73 HA ASP 12 HA ASP 12 48.300 6.063 -4.378 74 1HB ASP 12 1HB ASP 12 46.325 5.207 -2.417 75 2HB ASP 12 2HB ASP 12 47.936 5.254 -1.777 76 H ALA 13 H ALA 13 47.529 2.684 -3.943 77 HA ALA 13 HA ALA 13 50.051 1.932 -2.830 78 1HB ALA 13 1HB ALA 13 48.007 0.585 -2.535 79 2HB ALA 13 2HB ALA 13 49.341 -0.350 -3.211 80 3HB ALA 13 3HB ALA 13 48.033 0.203 -4.256 81 H GLY 14 H GLY 14 51.936 1.838 -3.857 82 1HA GLY 14 1HA GLY 14 53.437 1.240 -5.538 83 2HA GLY 14 2HA GLY 14 52.081 0.810 -6.565 84 H ASN 15 H ASN 15 52.753 3.903 -4.965 85 HA ASN 15 HA ASN 15 52.853 5.176 -7.598 86 1HB ASN 15 1HB ASN 15 52.084 7.213 -6.382 87 2HB ASN 15 2HB ASN 15 50.915 5.896 -6.350 88 1HD2 ASN 15 1HD2 ASN 15 50.083 7.193 -4.546 89 2HD2 ASN 15 2HD2 ASN 15 50.735 6.905 -2.968 90 H LYS 16 H LYS 16 54.912 3.987 -5.612 91 HA LYS 16 HA LYS 16 57.068 4.337 -5.113 92 1HB LYS 16 1HB LYS 16 57.093 6.962 -6.525 93 2HB LYS 16 2HB LYS 16 58.335 5.713 -6.467 94 1HG LYS 16 1HG LYS 16 55.811 5.754 -8.091 95 2HG LYS 16 2HG LYS 16 57.476 5.687 -8.646 96 1HD LYS 16 1HD LYS 16 57.394 3.457 -7.137 97 2HD LYS 16 2HD LYS 16 55.717 3.533 -7.684 98 1HE LYS 16 1HE LYS 16 56.258 3.049 -9.817 99 2HE LYS 16 2HE LYS 16 57.730 4.019 -9.771 100 1HZ LYS 16 1HZ LYS 16 58.414 2.014 -8.167 101 2HZ LYS 16 2HZ LYS 16 58.697 2.005 -9.834 102 3HZ LYS 16 3HZ LYS 16 57.352 1.197 -9.201 103 H VAL 17 H VAL 17 54.698 5.873 -3.769 104 HA VAL 17 HA VAL 17 56.265 7.874 -2.318 105 HB VAL 17 HB VAL 17 53.333 7.424 -1.860 106 1HG1 VAL 17 1HG1 VAL 17 54.535 10.115 -1.999 107 2HG1 VAL 17 2HG1 VAL 17 55.093 9.089 -0.677 108 3HG1 VAL 17 3HG1 VAL 17 53.375 9.447 -0.850 109 1HG2 VAL 17 1HG2 VAL 17 54.299 9.326 -3.966 110 2HG2 VAL 17 2HG2 VAL 17 52.676 8.689 -3.699 111 3HG2 VAL 17 3HG2 VAL 17 53.932 7.649 -4.369 112 H CYS 18 H CYS 18 54.158 7.408 -0.073 113 HA CYS 18 HA CYS 18 54.828 4.880 1.046 114 1HB CYS 18 1HB CYS 18 56.919 6.060 1.498 115 2HB CYS 18 2HB CYS 18 56.021 7.379 2.235 116 H SER 19 H SER 19 52.843 4.428 1.655 117 HA SER 19 HA SER 19 51.471 6.274 3.492 118 1HB SER 19 1HB SER 19 50.423 4.884 1.062 119 2HB SER 19 2HB SER 19 49.353 5.013 2.458 120 HG SER 19 HG SER 19 50.148 6.930 0.692 121 H LEU 20 H LEU 20 51.635 5.408 5.378 122 HA LEU 20 HA LEU 20 52.045 2.674 5.936 123 1HB LEU 20 1HB LEU 20 51.118 4.978 7.636 124 2HB LEU 20 2HB LEU 20 51.570 3.407 8.285 125 HG LEU 20 HG LEU 20 53.487 4.931 6.584 126 1HD1 LEU 20 1HD1 LEU 20 52.860 5.450 9.478 127 2HD1 LEU 20 2HD1 LEU 20 52.922 6.605 8.146 128 3HD1 LEU 20 3HD1 LEU 20 54.409 5.871 8.747 129 1HD2 LEU 20 1HD2 LEU 20 54.373 2.861 7.023 130 2HD2 LEU 20 2HD2 LEU 20 53.598 2.743 8.603 131 3HD2 LEU 20 3HD2 LEU 20 55.008 3.780 8.388 132 H GLN 21 H GLN 21 49.233 4.729 5.839 133 HA GLN 21 HA GLN 21 47.413 2.888 6.998 134 1HB GLN 21 1HB GLN 21 45.889 4.497 5.286 135 2HB GLN 21 2HB GLN 21 46.143 4.720 7.006 136 1HG GLN 21 1HG GLN 21 46.593 6.773 5.889 137 2HG GLN 21 2HG GLN 21 48.115 6.124 6.492 138 1HE2 GLN 21 1HE2 GLN 21 46.206 5.402 3.588 139 2HE2 GLN 21 2HE2 GLN 21 47.474 5.753 2.460 140 H CYS 22 H CYS 22 49.047 2.733 4.085 141 HA CYS 22 HA CYS 22 46.953 1.020 2.924 142 1HB CYS 22 1HB CYS 22 49.003 2.802 1.617 143 2HB CYS 22 2HB CYS 22 48.219 1.496 0.736 144 H ASN 23 H ASN 23 50.117 1.243 4.179 145 HA ASN 23 HA ASN 23 51.283 -0.952 2.838 146 1HB ASN 23 1HB ASN 23 52.283 1.139 4.030 147 2HB ASN 23 2HB ASN 23 52.150 0.140 5.472 148 1HD2 ASN 23 1HD2 ASN 23 54.476 0.982 4.875 149 2HD2 ASN 23 2HD2 ASN 23 55.484 -0.261 4.215 150 H ASN 24 H ASN 24 48.947 -1.995 3.646 151 HA ASN 24 HA ASN 24 49.696 -3.601 5.980 152 1HB ASN 24 1HB ASN 24 47.010 -4.001 5.818 153 2HB ASN 24 2HB ASN 24 47.802 -2.910 6.926 154 1HD2 ASN 24 1HD2 ASN 24 48.361 -0.723 5.663 155 2HD2 ASN 24 2HD2 ASN 24 46.982 -0.020 4.882 156 H HIS 25 H HIS 25 48.211 -5.601 6.028 157 HA HIS 25 HA HIS 25 49.029 -7.172 3.758 158 1HB HIS 25 1HB HIS 25 49.349 -7.999 6.007 159 2HB HIS 25 2HB HIS 25 47.629 -7.829 6.349 160 HD1 HIS 25 HD1 HIS 25 47.686 -10.432 6.925 161 HD2 HIS 25 HD2 HIS 25 48.427 -9.441 2.965 162 HE1 HIS 25 HE1 HIS 25 47.417 -12.578 5.638 163 HE2 HIS 25 HE2 HIS 25 47.776 -11.933 3.228 164 H ALA 26 H ALA 26 46.129 -5.783 5.082 165 HA ALA 26 HA ALA 26 44.403 -7.337 3.348 166 1HB ALA 26 1HB ALA 26 43.808 -5.244 5.420 167 2HB ALA 26 2HB ALA 26 43.614 -6.991 5.566 168 3HB ALA 26 3HB ALA 26 42.580 -6.077 4.467 169 H CYS 27 H CYS 27 46.079 -4.327 3.140 170 HA CYS 27 HA CYS 27 44.114 -3.350 1.185 171 1HB CYS 27 1HB CYS 27 46.210 -2.028 2.834 172 2HB CYS 27 2HB CYS 27 45.834 -1.324 1.266 173 H GLY 28 H GLY 28 47.339 -4.585 1.525 174 1HA GLY 28 1HA GLY 28 48.047 -5.723 -0.615 175 2HA GLY 28 2HA GLY 28 47.743 -4.168 -1.377 176 H TRP 29 H TRP 29 48.946 -3.609 1.680 177 HA TRP 29 HA TRP 29 50.908 -3.009 2.519 178 1HB TRP 29 1HB TRP 29 51.966 -4.783 0.308 179 2HB TRP 29 2HB TRP 29 52.998 -4.020 1.513 180 HD1 TRP 29 HD1 TRP 29 51.431 -7.216 0.959 181 HE1 TRP 29 HE1 TRP 29 51.095 -8.451 3.201 182 HE3 TRP 29 HE3 TRP 29 52.075 -3.355 4.152 183 HZ2 TRP 29 HZ2 TRP 29 51.115 -7.868 5.899 184 HZ3 TRP 29 HZ3 TRP 29 51.857 -3.722 6.544 185 HH2 TRP 29 HH2 TRP 29 51.398 -5.970 7.427 186 H ASP 30 H ASP 30 49.550 -1.307 0.836 187 HA ASP 30 HA ASP 30 49.720 0.536 -0.490 188 1HB ASP 30 1HB ASP 30 50.820 1.232 1.616 189 2HB ASP 30 2HB ASP 30 52.365 0.743 0.956 190 H GLY 31 H GLY 31 50.749 -1.953 -1.657 191 1HA GLY 31 1HA GLY 31 51.717 -2.605 -3.626 192 2HA GLY 31 2HA GLY 31 51.788 -0.905 -4.052 193 H GLY 32 H GLY 32 53.444 -1.347 -1.169 194 1HA GLY 32 1HA GLY 32 55.688 -1.861 -0.706 195 2HA GLY 32 2HA GLY 32 55.955 -2.133 -2.426 196 H ASP 33 H ASP 33 54.349 0.659 -1.125 197 HA ASP 33 HA ASP 33 56.286 2.404 -2.385 198 1HB ASP 33 1HB ASP 33 53.583 2.734 -1.152 199 2HB ASP 33 2HB ASP 33 54.598 4.142 -1.405 200 H CYS 34 H CYS 34 54.944 1.846 0.852 201 HA CYS 34 HA CYS 34 56.766 3.714 2.067 202 1HB CYS 34 1HB CYS 34 54.559 1.979 2.967 203 2HB CYS 34 2HB CYS 34 55.859 2.151 4.137 204 H SER 35 H SER 35 56.266 0.205 2.427 205 HA SER 35 HA SER 35 58.967 -0.501 2.060 206 1HB SER 35 1HB SER 35 59.792 -0.841 4.234 207 2HB SER 35 2HB SER 35 58.995 0.729 4.337 208 HG SER 35 HG SER 35 57.444 -0.114 5.545
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